(5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one

C18H15FO — CID 162416769

IUPAC(5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one
SMILESCC1=C(c2ccccc2)C[C@@H](c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H15FO/c1-12-16(13-5-3-2-4-6-13)11-17(18(12)20)14-7-9-15(19)10-8-14/h2-10,17H,11H2,1H3/t17-/m0/s1
InChIKeyCDECEHFUQZJZPV-KRWDZBQOSA-N
MW266.31 g/mol
LogP4.36
Rot. Bonds2

About (5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one

(5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one (PubChem CID 162416769) has the molecular formula C18H15FO and a molecular weight of 266.31 g/mol. Its IUPAC name is (5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one
PubChem CID162416769
Molecular FormulaC18H15FO
Molecular Weight266.31 g/mol
Exact Mass266.11
IUPAC Name(5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one
SMILESCC1=C(c2ccccc2)C[C@@H](c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H15FO/c1-12-16(13-5-3-2-4-6-13)11-17(18(12)20)14-7-9-15(19)10-8-14/h2-10,17H,11H2,1H3/t17-/m0/s1
InChIKeyCDECEHFUQZJZPV-KRWDZBQOSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one
CID 162351718
(4S)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 7306086
4-(4-fluorophenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620866
5-methyl-4-phenyl-1,3-dihydropyrrol-2-one
CID 11469349
1-fluoro-4-(2-methylidenecyclopropyl)benzene
CID 15862510
1-(4-fluorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2933284
5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one
CID 66106755
1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135653312
(4S)-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136920125
5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene
CID 154971229
3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one
CID 44605460
(2-fluoro-4-methylcyclopenten-1-yl)benzene
CID 15529228

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one?
The IUPAC name of (5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one (CID 162416769) is (5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one.
What is the SMILES notation for (5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one?
The canonical SMILES for (5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one is CC1=C(c2ccccc2)C[C@@H](c2ccc(F)cc2)C1=O.
What is the InChIKey of (5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one?
The InChIKey is CDECEHFUQZJZPV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H15FO/c1-12-16(13-5-3-2-4-6-13)11-17(18(12)20)14-7-9-15(19)10-8-14/h2-10,17H,11H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one?
(5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one has a molecular weight of 266.31 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 162416769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).