3-Allyl-6-methoxyphenol

3-Allyl-6-methoxyphenol
Compound Structure:
Synonyms: Chavibetol;m-Eugenol;5-Allyl-2-methoxyphenol;2-methoxy-5-prop-2-enyl-phenol;2-methoxy-5-prop-2-enylphenol;Phenol, 5-allyl-2-methoxy-;2-methoxy-5-(prop-2-en-1-yl)phenol;2-Methoxy-5-(2-propenyl)phenol
Compound ID: NMPC-337
PubChem ID:

596375
Molecular Formula: C10H12O2
Canonical SMILES: COC1=C(C=C(C=C1)CC=C)O
InChIKey: NPBVQXIMTZKSBA-UHFFFAOYSA-N
About the compound:

M-Eugenol belongs to the group of methoxybenzenes and is categorized as a phenol compound. Chavibetol, on the other hand, is a naturally occurring substance found in various organisms, including Alnus pendula and Piper betle. It falls into the organic chemical compound class known as phenylpropanoids. Notably, it serves as one of the major components in the essential oil extracted from the leaves of the betel plant (Piper betel) and catatia. Chavibetol possesses an aromatic quality, accompanied by a spicy fragrance.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

164.20 g/mol

XLogP3

2

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

3

Exact Mass

164.083729621 g/mol

Monoisotopic Mass

164.083729621 g/mol

Topological Polar Surface Area

29.5Ų

Heavy Atom Count

12

Formal Charge

0

Complexity

145

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Strychnos innocua
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