(4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one

C20H18O — CID 101486997

IUPAC(4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one
SMILESCC1=C(c2ccccc2)/C(=C(/C)c2ccccc2)CC1=O
InChIInChI=1S/C20H18O/c1-14(16-9-5-3-6-10-16)18-13-19(21)15(2)20(18)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3/b18-14-
InChIKeyQDPXBGSJRLSZQF-JXAWBTAJSA-N
MW274.36 g/mol
LogP4.91
Rot. Bonds2

About (4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one

(4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one (PubChem CID 101486997) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is (4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one
PubChem CID101486997
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name(4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one
SMILESCC1=C(c2ccccc2)/C(=C(/C)c2ccccc2)CC1=O
InChIInChI=1S/C20H18O/c1-14(16-9-5-3-6-10-16)18-13-19(21)15(2)20(18)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3/b18-14-
InChIKeyQDPXBGSJRLSZQF-JXAWBTAJSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one?
The IUPAC name of (4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one (CID 101486997) is (4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one.
What is the SMILES notation for (4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one?
The canonical SMILES for (4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one is CC1=C(c2ccccc2)/C(=C(/C)c2ccccc2)CC1=O.
What is the InChIKey of (4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one?
The InChIKey is QDPXBGSJRLSZQF-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H18O/c1-14(16-9-5-3-6-10-16)18-13-19(21)15(2)20(18)17-11-7-4-8-12-17/h3-12H,13H2,1-2H3/b18-14-.
What are the key properties of (4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one?
(4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one has a molecular weight of 274.36 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methyl-3-phenyl-4-(1-phenylethylidene)cyclopent-2-en-1-one is sourced from PubChem (CID 101486997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).