3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one

C13H14O2 — CID 18955599

IUPAC3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one
SMILESCC1CCC(=O)C=C1c1cccc(O)c1
InChIInChI=1S/C13H14O2/c1-9-5-6-12(15)8-13(9)10-3-2-4-11(14)7-10/h2-4,7-9,14H,5-6H2,1H3
InChIKeyRIZPVSDEXRFRMZ-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.77
Rot. Bonds1

About 3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one

3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one (PubChem CID 18955599) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one
PubChem CID18955599
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one
SMILESCC1CCC(=O)C=C1c1cccc(O)c1
InChIInChI=1S/C13H14O2/c1-9-5-6-12(15)8-13(9)10-3-2-4-11(14)7-10/h2-4,7-9,14H,5-6H2,1H3
InChIKeyRIZPVSDEXRFRMZ-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one?
The IUPAC name of 3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one (CID 18955599) is 3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one?
The canonical SMILES for 3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one is CC1CCC(=O)C=C1c1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one?
The InChIKey is RIZPVSDEXRFRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-9-5-6-12(15)8-13(9)10-3-2-4-11(14)7-10/h2-4,7-9,14H,5-6H2,1H3.
What are the key properties of 3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one?
3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-4-methylcyclohex-2-en-1-one is sourced from PubChem (CID 18955599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).