2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one

C13H14O2 — CID 12045424

IUPAC2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one
SMILESCc1ccc(C(O)C2=CCCC2=O)cc1
InChIInChI=1S/C13H14O2/c1-9-5-7-10(8-6-9)13(15)11-3-2-4-12(11)14/h3,5-8,13,15H,2,4H2,1H3
InChIKeyPBASHVZTIGPMSM-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.32
Rot. Bonds2

About 2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one

2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one (PubChem CID 12045424) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one
PubChem CID12045424
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one
SMILESCc1ccc(C(O)C2=CCCC2=O)cc1
InChIInChI=1S/C13H14O2/c1-9-5-7-10(8-6-9)13(15)11-3-2-4-12(11)14/h3,5-8,13,15H,2,4H2,1H3
InChIKeyPBASHVZTIGPMSM-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one?
The IUPAC name of 2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one (CID 12045424) is 2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one is Cc1ccc(C(O)C2=CCCC2=O)cc1.
What is the InChIKey of 2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one?
The InChIKey is PBASHVZTIGPMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-9-5-7-10(8-6-9)13(15)11-3-2-4-12(11)14/h3,5-8,13,15H,2,4H2,1H3.
What are the key properties of 2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one?
2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(4-methylphenyl)methyl]cyclopent-2-en-1-one is sourced from PubChem (CID 12045424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).