(4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one

C19H16O2 — CID 102019954

IUPAC(4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one
SMILESO=C1C=C(c2ccccc2)[C@H](CC(=O)c2ccccc2)C1
InChIInChI=1S/C19H16O2/c20-17-11-16(12-19(21)15-9-5-2-6-10-15)18(13-17)14-7-3-1-4-8-14/h1-10,13,16H,11-12H2/t16-/m0/s1
InChIKeyLKCDRIGAPSHGMY-INIZCTEOSA-N
MW276.34 g/mol
LogP3.93
Rot. Bonds4

About (4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one

(4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one (PubChem CID 102019954) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one
PubChem CID102019954
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name(4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one
SMILESO=C1C=C(c2ccccc2)[C@H](CC(=O)c2ccccc2)C1
InChIInChI=1S/C19H16O2/c20-17-11-16(12-19(21)15-9-5-2-6-10-15)18(13-17)14-7-3-1-4-8-14/h1-10,13,16H,11-12H2/t16-/m0/s1
InChIKeyLKCDRIGAPSHGMY-INIZCTEOSA-N
XLogP3.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2-bromocyclopropyl)-1-phenylethanone
CID 174508043
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
1-benzyl-3-methyl-5-phenacylpiperidin-4-one
CID 21498288
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone
CID 10967351
2-(oxolan-3-yl)-1-phenylethanone
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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one?
The IUPAC name of (4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one (CID 102019954) is (4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one is O=C1C=C(c2ccccc2)[C@H](CC(=O)c2ccccc2)C1.
What is the InChIKey of (4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one?
The InChIKey is LKCDRIGAPSHGMY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16O2/c20-17-11-16(12-19(21)15-9-5-2-6-10-15)18(13-17)14-7-3-1-4-8-14/h1-10,13,16H,11-12H2/t16-/m0/s1.
What are the key properties of (4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one?
(4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one has a molecular weight of 276.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 102019954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).