PHENOL

Structure

2D structure of PHENOL — 2D structure

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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 996

Names and identifiers

Name

PHENOL

IUPAC name

phenol

SMILES

C1=CC=C(C=C1)O

General information

Molecular formula

C₆H₆O

Molecular weight

94.11 g/mol

Monoisotopic mass

94.0419 Da

Classification

Pathway:

Shikimates and Phenylpropanoids

Superclass:

-

Class:

-

Glycoside:

No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant	Plant part	Amount	Reference
Achillea millefolium L. subsp. millefolium	-	155 ppm	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Hypericum perforatum L.	-	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Lolium arundinaceum (Schreb.) Darbysh. subsp. arundinaceum	leaf	-	Tava, A., Berardo, N., Odoardi, M. (1991). Composition of essential oil of tall fescue. Phytochemistry, 30(5), 1455-1458 doi:10.1016/0031-9422(91)84185-u
Morus alba L.	-	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Trifolium pratense L. subsp. pratense	flower	49 ppm	Buchnauer,G.,Jirovetz,L.,Nikiforov,A.1996.Comparative Investigation of Essential Clover Flower Oils from Austria Using Gas Chromatography-Flame Ionization Detection,Gas Chromatography-Mass Spectometry,and Gas Chrom.-Olfactometry.J.Agrc.Food Chem.44:1827-8
Vaccinium myrtillus L.	fruit	0 ppm	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.

×

Plant	Plant part	Amount	Reference
Achillea millefolium L. subsp. millefolium	-	155 ppm	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Hypericum perforatum L.	-	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Lolium arundinaceum (Schreb.) Darbysh. subsp. arundinaceum	leaf	-	Tava, A., Berardo, N., Odoardi, M. (1991). Composition of essential oil of tall fescue. Phytochemistry, 30(5), 1455-1458 doi:10.1016/0031-9422(91)84185-u
Morus alba L.	-	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Trifolium pratense L. subsp. pratense	flower	49 ppm	Buchnauer,G.,Jirovetz,L.,Nikiforov,A.1996.Comparative Investigation of Essential Clover Flower Oils from Austria Using Gas Chromatography-Flame Ionization Detection,Gas Chromatography-Mass Spectometry,and Gas Chrom.-Olfactometry.J.Agrc.Food Chem.44:1827-8
Vaccinium myrtillus L.	fruit	0 ppm	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.