2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one

C12H12O2 — CID 71379048

IUPAC2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)CC1c1ccccc1
InChIInChI=1S/C12H12O2/c1-8-10(7-11(13)12(8)14)9-5-3-2-4-6-9/h2-6,10,14H,7H2,1H3
InChIKeyKLGHUEXNXOLESD-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.58
Rot. Bonds1

About 2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one

2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one (PubChem CID 71379048) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one
PubChem CID71379048
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)CC1c1ccccc1
InChIInChI=1S/C12H12O2/c1-8-10(7-11(13)12(8)14)9-5-3-2-4-6-9/h2-6,10,14H,7H2,1H3
InChIKeyKLGHUEXNXOLESD-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one?
The IUPAC name of 2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one (CID 71379048) is 2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one?
The canonical SMILES for 2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one is CC1=C(O)C(=O)CC1c1ccccc1.
What is the InChIKey of 2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one?
The InChIKey is KLGHUEXNXOLESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8-10(7-11(13)12(8)14)9-5-3-2-4-6-9/h2-6,10,14H,7H2,1H3.
What are the key properties of 2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one?
2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one has a molecular weight of 188.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-4-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 71379048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).