(2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one

C20H18O2 — CID 98158179

IUPAC(2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one
SMILESCOc1ccc(/C=C2\C(=O)[C@@H](c3ccccc3)C=C2C)cc1
InChIInChI=1S/C20H18O2/c1-14-12-19(16-6-4-3-5-7-16)20(21)18(14)13-15-8-10-17(22-2)11-9-15/h3-13,19H,1-2H3/b18-13-/t19-/m1/s1
InChIKeyKELZEBAUXVZTKJ-CWDSQJGSSA-N
MW290.36 g/mol
LogP4.39
Rot. Bonds3

About (2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one

(2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one (PubChem CID 98158179) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one.

Molecular Properties

Compound Name(2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one
PubChem CID98158179
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name(2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one
SMILESCOc1ccc(/C=C2\C(=O)[C@@H](c3ccccc3)C=C2C)cc1
InChIInChI=1S/C20H18O2/c1-14-12-19(16-6-4-3-5-7-16)20(21)18(14)13-15-8-10-17(22-2)11-9-15/h3-13,19H,1-2H3/b18-13-/t19-/m1/s1
InChIKeyKELZEBAUXVZTKJ-CWDSQJGSSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-6-[(4-methoxyphenyl)methylidene]-3,4-dimethyl-2-phenyl-1,4-oxazepane-5,7-dione
CID 57318968
(2Z)-2-[(4-methoxyphenyl)methylidene]-3-phenylcyclohexan-1-one
CID 68642813
(5E)-5-[(4-methoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 2054849
4-[(4-methoxyphenyl)methylidene]isochromene-1,3-dione
CID 3102747
(4E)-4-[(4-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 5386572
2-[(4-methoxyphenyl)methylidene]-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide
CID 139083181
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
CID 11836579
5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
CID 4623143
(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10640985
4-methoxybenzaldehyde;toluene
CID 174462701
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one?
The IUPAC name of (2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one (CID 98158179) is (2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one.
What is the SMILES notation for (2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one?
The canonical SMILES for (2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one is COc1ccc(/C=C2\C(=O)[C@@H](c3ccccc3)C=C2C)cc1.
What is the InChIKey of (2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one?
The InChIKey is KELZEBAUXVZTKJ-CWDSQJGSSA-N. The full InChI is InChI=1S/C20H18O2/c1-14-12-19(16-6-4-3-5-7-16)20(21)18(14)13-15-8-10-17(22-2)11-9-15/h3-13,19H,1-2H3/b18-13-/t19-/m1/s1.
What are the key properties of (2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one?
(2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one has a molecular weight of 290.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5R)-2-[(4-methoxyphenyl)methylidene]-3-methyl-5-phenylcyclopent-3-en-1-one is sourced from PubChem (CID 98158179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).