(4R)-4-methyl-3-phenylcyclopent-2-en-1-one

C12H12O — CID 100920328

IUPAC(4R)-4-methyl-3-phenylcyclopent-2-en-1-one
SMILESC[C@@H]1CC(=O)C=C1c1ccccc1
InChIInChI=1S/C12H12O/c1-9-7-11(13)8-12(9)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/t9-/m1/s1
InChIKeyQWEJWEROMMYTQW-SECBINFHSA-N
MW172.23 g/mol
LogP2.68
Rot. Bonds1

About (4R)-4-methyl-3-phenylcyclopent-2-en-1-one

(4R)-4-methyl-3-phenylcyclopent-2-en-1-one (PubChem CID 100920328) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is (4R)-4-methyl-3-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-methyl-3-phenylcyclopent-2-en-1-one
PubChem CID100920328
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name(4R)-4-methyl-3-phenylcyclopent-2-en-1-one
SMILESC[C@@H]1CC(=O)C=C1c1ccccc1
InChIInChI=1S/C12H12O/c1-9-7-11(13)8-12(9)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/t9-/m1/s1
InChIKeyQWEJWEROMMYTQW-SECBINFHSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-4-phenyl-2,3-dihydropyran-6-one
CID 101419577
4,5-dimethyl-3-phenylcyclopent-2-en-1-one
CID 139667447
(4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one
CID 102019954
(4S)-3,4-dimethylcyclopent-2-en-1-one
CID 86310528
(4-methylcyclobuten-1-yl)benzene
CID 173414108
5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one
CID 135069826
2,4-dimethyl-3-phenylcyclopent-2-en-1-one
CID 14758486
5-(4-fluorophenyl)-4-methyl-2-phenyl-3,4-dihydropyridine
CID 140708544
4,10-dimethyl-6-phenyl-9,10-dihydro-5H-cyclohepta[b]indol-8-one
CID 135069644
2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole
CID 139470456
(5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
CID 11159775
4-[4-[4-(3-methyl-3,4,5a,9a-tetrahydrodibenzofuran-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 146670772

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-3-phenylcyclopent-2-en-1-one?
The IUPAC name of (4R)-4-methyl-3-phenylcyclopent-2-en-1-one (CID 100920328) is (4R)-4-methyl-3-phenylcyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-methyl-3-phenylcyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-methyl-3-phenylcyclopent-2-en-1-one is C[C@@H]1CC(=O)C=C1c1ccccc1.
What is the InChIKey of (4R)-4-methyl-3-phenylcyclopent-2-en-1-one?
The InChIKey is QWEJWEROMMYTQW-SECBINFHSA-N. The full InChI is InChI=1S/C12H12O/c1-9-7-11(13)8-12(9)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-4-methyl-3-phenylcyclopent-2-en-1-one?
(4R)-4-methyl-3-phenylcyclopent-2-en-1-one has a molecular weight of 172.23 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-3-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 100920328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).