3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one

C13H14O2 — CID 2886808

IUPAC3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one
SMILESCc1ccc(C2CC(=O)C=C(O)C2)cc1
InChIInChI=1S/C13H14O2/c1-9-2-4-10(5-3-9)11-6-12(14)8-13(15)7-11/h2-5,8,11,14H,6-7H2,1H3
InChIKeyVBBBVMOMEYQBNU-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.88
Rot. Bonds1

About 3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one

3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one (PubChem CID 2886808) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one
PubChem CID2886808
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one
SMILESCc1ccc(C2CC(=O)C=C(O)C2)cc1
InChIInChI=1S/C13H14O2/c1-9-2-4-10(5-3-9)11-6-12(14)8-13(15)7-11/h2-5,8,11,14H,6-7H2,1H3
InChIKeyVBBBVMOMEYQBNU-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one (CID 2886808) is 3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one is Cc1ccc(C2CC(=O)C=C(O)C2)cc1.
What is the InChIKey of 3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one?
The InChIKey is VBBBVMOMEYQBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-9-2-4-10(5-3-9)11-6-12(14)8-13(15)7-11/h2-5,8,11,14H,6-7H2,1H3.
What are the key properties of 3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one?
3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(4-methylphenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 2886808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).