Carvacrol

C10H14O — CID 10364

IUPAC2-methyl-5-propan-2-ylphenol
SMILESCC1=C(C=C(C=C1)C(C)C)O
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
InChIKeyRECUKUPTGUEGMW-UHFFFAOYSA-N
MW150.22 g/mol
LogP3.10
Rot. Bonds1

About Carvacrol

Carvacrol (PubChem CID 10364) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-5-propan-2-ylphenol.

Molecular Properties

Compound NameCarvacrol
PubChem CID10364
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-methyl-5-propan-2-ylphenol
SMILESCC1=C(C=C(C=C1)C(C)C)O
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
InChIKeyRECUKUPTGUEGMW-UHFFFAOYSA-N
XLogP3.10
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity120

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Pentylphenol
CID 6643
Thymol
CID 6989
Cannabidiol
CID 644019
O-Cresol
CID 335
M-Cresol
CID 342
2,4-Dimethylphenol
CID 7771
Tert-Butylhydroquinone
CID 16043
1-Naphthol
CID 7005
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393
Hexestrol
CID 192197
4-Nonylphenol
CID 1752

Frequently Asked Questions

What is the IUPAC name of Carvacrol?
The IUPAC name of Carvacrol (CID 10364) is 2-methyl-5-propan-2-ylphenol.
What is the SMILES notation for Carvacrol?
The canonical SMILES for Carvacrol is CC1=C(C=C(C=C1)C(C)C)O.
What is the InChIKey of Carvacrol?
The InChIKey is RECUKUPTGUEGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3.
What are the key properties of Carvacrol?
Carvacrol has a molecular weight of 150.22 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Carvacrol is sourced from PubChem (CID 10364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).