4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one

C12H12O2 — CID 10997780

IUPAC4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one
SMILESCC1(O)C=CC(=O)C1c1ccccc1
InChIInChI=1S/C12H12O2/c1-12(14)8-7-10(13)11(12)9-5-3-2-4-6-9/h2-8,11,14H,1H3
InChIKeyBZTCJPVCZOODFD-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.66
Rot. Bonds1

About 4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one

4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one (PubChem CID 10997780) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one
PubChem CID10997780
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one
SMILESCC1(O)C=CC(=O)C1c1ccccc1
InChIInChI=1S/C12H12O2/c1-12(14)8-7-10(13)11(12)9-5-3-2-4-6-9/h2-8,11,14H,1H3
InChIKeyBZTCJPVCZOODFD-UHFFFAOYSA-N
XLogP1.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one (CID 10997780) is 4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one is CC1(O)C=CC(=O)C1c1ccccc1.
What is the InChIKey of 4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one?
The InChIKey is BZTCJPVCZOODFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-12(14)8-7-10(13)11(12)9-5-3-2-4-6-9/h2-8,11,14H,1H3.
What are the key properties of 4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one?
4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one has a molecular weight of 188.23 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methyl-5-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 10997780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).