4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one

C18H16O2 — CID 57422037

IUPAC4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one
SMILESCC1=C(c2ccccc2)C(O)(c2ccccc2)CC1=O
InChIInChI=1S/C18H16O2/c1-13-16(19)12-18(20,15-10-6-3-7-11-15)17(13)14-8-4-2-5-9-14/h2-11,20H,12H2,1H3
InChIKeyQHTSZFGLTOSSQJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.32
Rot. Bonds2

About 4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one

4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one (PubChem CID 57422037) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one
PubChem CID57422037
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one
SMILESCC1=C(c2ccccc2)C(O)(c2ccccc2)CC1=O
InChIInChI=1S/C18H16O2/c1-13-16(19)12-18(20,15-10-6-3-7-11-15)17(13)14-8-4-2-5-9-14/h2-11,20H,12H2,1H3
InChIKeyQHTSZFGLTOSSQJ-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid
CID 68776
Mls002638215
CID 223673
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CID 41122
2-(Hydroxy-phenylmethyl)cyclopent-2-en-1-one
CID 11030566
4-Hydroxy-3,4-diphenyl-cyclopent-2-enone
CID 227383
1,7-Diphenyl-6(E)-Hepten-3-One-5-Ol
CID 44559751
3-Hydroxy-1,3-diphenyl-propenone
CID 84413
2-Hydroxy-1,2-diphenyl-1-propanone
CID 344693
(E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one
CID 5290861
6,6,7,7-Tetrafluoro-5-hydroxy-1,5-diphenyl-1-hepten-3-one
CID 5290862
2,5-Cyclohexadien-1-one, 4-hydroxy-4-phenyl-
CID 179550
2-Hydroxy-1,2,3-triphenyl-1-propanone
CID 285844

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one (CID 57422037) is 4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one is CC1=C(c2ccccc2)C(O)(c2ccccc2)CC1=O.
What is the InChIKey of 4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one?
The InChIKey is QHTSZFGLTOSSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-13-16(19)12-18(20,15-10-6-3-7-11-15)17(13)14-8-4-2-5-9-14/h2-11,20H,12H2,1H3.
What are the key properties of 4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one?
4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one has a molecular weight of 264.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one is sourced from PubChem (CID 57422037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).