(4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one

C19H16O — CID 177476257

IUPAC(4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one
SMILESCC1=C(c2ccccc2)C(=O)C/C1=C/c1ccccc1
InChIInChI=1S/C19H16O/c1-14-17(12-15-8-4-2-5-9-15)13-18(20)19(14)16-10-6-3-7-11-16/h2-12H,13H2,1H3/b17-12-
InChIKeyJRDGQCUFNFPTIQ-ATVHPVEESA-N
MW260.34 g/mol
LogP4.52
Rot. Bonds2

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

(4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one (PubChem CID 177476257) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is (4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one
PubChem CID177476257
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name(4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one
SMILESCC1=C(c2ccccc2)C(=O)C/C1=C/c1ccccc1
InChIInChI=1S/C19H16O/c1-14-17(12-15-8-4-2-5-9-15)13-18(20)19(14)16-10-6-3-7-11-16/h2-12H,13H2,1H3/b17-12-
InChIKeyJRDGQCUFNFPTIQ-ATVHPVEESA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one
CID 132509690
(4E)-4-benzylidene-3-hydroxy-2-methylcyclohex-2-en-1-one
CID 101236564
2-benzylidenecyclobutan-1-one
CID 73042587
(2Z,5E)-2,5-bis[(4-phenylphenyl)methylidene]cyclopentan-1-one
CID 2313575
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
(2E,8E)-2,8-dibenzylidenecyclooctan-1-one
CID 6439695
(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
CID 10399128
(3Z)-3-benzylidene-5-methylfuran-2-one
CID 121009416
(3E)-3-benzylidenethiolane-2,5-dione
CID 46914138
(3Z,5E)-3,5-dibenzylidene-1-methylpiperidin-4-one
CID 6374106
3-[2-(4-methylphenyl)ethynyl]-2-phenylcyclobut-2-en-1-one
CID 132546207
(2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one
CID 6251160

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one?
The IUPAC name of (4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one (CID 177476257) is (4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one.
What is the SMILES notation for (4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one?
The canonical SMILES for (4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one is CC1=C(c2ccccc2)C(=O)C/C1=C/c1ccccc1.
What is the InChIKey of (4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one?
The InChIKey is JRDGQCUFNFPTIQ-ATVHPVEESA-N. The full InChI is InChI=1S/C19H16O/c1-14-17(12-15-8-4-2-5-9-15)13-18(20)19(14)16-10-6-3-7-11-16/h2-12H,13H2,1H3/b17-12-.
What are the key properties of (4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one?
(4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one has a molecular weight of 260.34 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 177476257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).