(5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one

C20H18O2 — CID 101250543

IUPAC(5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)/C(=C\Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H18O2/c1-14-18(16-10-6-3-7-11-16)17(20(22)19(14)21)13-12-15-8-4-2-5-9-15/h2-11,13,18,21H,12H2,1H3/b17-13-
InChIKeyFRTSFSPEZZAIGF-LGMDPLHJSA-N
MW290.36 g/mol
LogP4.35
Rot. Bonds3

About (5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one

(5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one (PubChem CID 101250543) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is (5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one
PubChem CID101250543
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name(5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)/C(=C\Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C20H18O2/c1-14-18(16-10-6-3-7-11-16)17(20(22)19(14)21)13-12-15-8-4-2-5-9-15/h2-11,13,18,21H,12H2,1H3/b17-13-
InChIKeyFRTSFSPEZZAIGF-LGMDPLHJSA-N
XLogP4.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one?
The IUPAC name of (5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one (CID 101250543) is (5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one.
What is the SMILES notation for (5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one?
The canonical SMILES for (5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one is CC1=C(O)C(=O)/C(=C\Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of (5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one?
The InChIKey is FRTSFSPEZZAIGF-LGMDPLHJSA-N. The full InChI is InChI=1S/C20H18O2/c1-14-18(16-10-6-3-7-11-16)17(20(22)19(14)21)13-12-15-8-4-2-5-9-15/h2-11,13,18,21H,12H2,1H3/b17-13-.
What are the key properties of (5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one?
(5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one has a molecular weight of 290.36 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-hydroxy-3-methyl-4-phenyl-5-(2-phenylethylidene)cyclopent-2-en-1-one is sourced from PubChem (CID 101250543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).