p-Thymol

p-Thymol
Compound Structure:
Synonyms: 4-Isopropyl-3-methylphenol ;3228-02-2 ;3-Methyl-4-isopropylphenol ;o-CYMEN-5-OL ;3-methyl-4-propan-2-ylphenol
Compound ID: NMPC-1438
PubChem ID:

18597
Molecular Formula: C10H14O
Canonical SMILES: CC1=C(C=CC(=C1)O)C(C)C
InChIKey: IJALWSVNUBBQRA-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

150.22 g/mol

XLogP3

3

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

150.104465066 g/mol

Monoisotopic Mass

150.104465066 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

120

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: Pentaclethra macrophylla
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