Identification

PhytoHub ID
PHUB000981
Name
Cymen-9-ol (p-)
Synonyms
Not Available
CAS Number
Not Available
Average Mass
150.221
Monoisotopic Mass
150.104465071
Chemical Formula
C10H14O
IUPAC Name
2-(4-methylphenyl)propan-1-ol
InChI Key
CLFDIFDNDWRHJF-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H14O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6,9,11H,7H2,1-2H3
SMILES
CC(CO)C1=CC=C(C)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
7.82e-01 g/l
LogS (ALOGPS)
-2.28
LogP (ALOGPS)
2.51
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
20.23
Refractivity
47.1417
Polarizability
17.895339882039266
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.622096050054034
pKa (strongest acidic)
15.403987082638242
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Cymene-pTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
Cymene-pCommon thymeHerbs and Spices PublicationsShow
Cymene-pGrape wineBeverages, Alcoholic PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluids
Cymene-p Cymen-9-ol (p-)rabbiturine Publications
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