4,5-dimethyl-3-phenylcyclopent-2-en-1-one

C13H14O — CID 139667447

IUPAC4,5-dimethyl-3-phenylcyclopent-2-en-1-one
SMILESCC1C(=O)C=C(c2ccccc2)C1C
InChIInChI=1S/C13H14O/c1-9-10(2)13(14)8-12(9)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyBGOOXUUJPORWGY-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.92
Rot. Bonds1

About 4,5-dimethyl-3-phenylcyclopent-2-en-1-one

4,5-dimethyl-3-phenylcyclopent-2-en-1-one (PubChem CID 139667447) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 4,5-dimethyl-3-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4,5-dimethyl-3-phenylcyclopent-2-en-1-one
PubChem CID139667447
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name4,5-dimethyl-3-phenylcyclopent-2-en-1-one
SMILESCC1C(=O)C=C(c2ccccc2)C1C
InChIInChI=1S/C13H14O/c1-9-10(2)13(14)8-12(9)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyBGOOXUUJPORWGY-UHFFFAOYSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-methyl-3-phenylcyclopent-2-en-1-one
CID 100920328
3-methyl-4-phenyl-2,3-dihydropyran-6-one
CID 101419577
4-methyl-3-phenylcyclobut-2-en-1-ol
CID 123879826
5-fluoro-6-methyl-3-phenylcyclohexa-2,4-dien-1-one
CID 146557825
(1S)-1-(2-methoxypropan-2-yl)-2-phenyl-1H-indene
CID 135008683
1,1'-biphenyl;mercury
CID 67099988
(4-methylcyclobuten-1-yl)benzene
CID 173414108
(2R)-2-hydroxy-3-phenyl-2H-furan-5-one
CID 163035429
sulfur dioxide;(4R,5S,6S,7S)-4,5,6,7-tetramethyl-1-phenylcycloheptene
CID 159799333
5,6-dimethylcyclohex-2-ene-1,4-dione
CID 130037029
1,1'-biphenyl;N,N-dimethylmethanamine;oxophosphane
CID 174729420
4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one
CID 13439272

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-phenylcyclopent-2-en-1-one?
The IUPAC name of 4,5-dimethyl-3-phenylcyclopent-2-en-1-one (CID 139667447) is 4,5-dimethyl-3-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 4,5-dimethyl-3-phenylcyclopent-2-en-1-one?
The canonical SMILES for 4,5-dimethyl-3-phenylcyclopent-2-en-1-one is CC1C(=O)C=C(c2ccccc2)C1C.
What is the InChIKey of 4,5-dimethyl-3-phenylcyclopent-2-en-1-one?
The InChIKey is BGOOXUUJPORWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-9-10(2)13(14)8-12(9)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 4,5-dimethyl-3-phenylcyclopent-2-en-1-one?
4,5-dimethyl-3-phenylcyclopent-2-en-1-one has a molecular weight of 186.25 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 139667447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).