(4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one

C21H20O3 — CID 132509690

IUPAC(4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one
SMILESCOc1ccc(/C=C2\CC(=O)C(c3ccc(OC)cc3)=C2C)cc1
InChIInChI=1S/C21H20O3/c1-14-17(12-15-4-8-18(23-2)9-5-15)13-20(22)21(14)16-6-10-19(24-3)11-7-16/h4-12H,13H2,1-3H3/b17-12+
InChIKeyBCPYVRSFNFXMNU-SFQUDFHCSA-N
MW320.39 g/mol
LogP4.53
Rot. Bonds4

About (4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one

(4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one (PubChem CID 132509690) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one
PubChem CID132509690
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name(4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one
SMILESCOc1ccc(/C=C2\CC(=O)C(c3ccc(OC)cc3)=C2C)cc1
InChIInChI=1S/C21H20O3/c1-14-17(12-15-4-8-18(23-2)9-5-15)13-20(22)21(14)16-6-10-19(24-3)11-7-16/h4-12H,13H2,1-3H3/b17-12+
InChIKeyBCPYVRSFNFXMNU-SFQUDFHCSA-N
XLogP4.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one with MolForge

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Related Compounds

(4Z)-4-benzylidene-3-methyl-2-phenylcyclopent-2-en-1-one
CID 177476257
(2E,6Z)-2-[(4-methoxyphenyl)methylidene]-6-[(4-phenylphenyl)methylidene]cyclohexan-1-one
CID 2313566
2-[(4-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one
CID 67064867
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 160654115
4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one
CID 162369806
(5Z)-5-ethylidene-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one
CID 10421306
4-fluoro-2-[(4-methoxyphenyl)methylidene]cyclohexan-1-one;4-fluoro-2-[(4-methylphenyl)methylidene]cyclohexan-1-one
CID 68643165
2-[(4-methoxyphenyl)methylidene]thietan-3-one
CID 131881209
(3E)-1-ethyl-3,5-bis[(4-methoxyphenyl)methylidene]piperidin-1-ium-4-one
CID 6993742
2-[bis(methylsulfanyl)methylidene]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one
CID 3338854
2,3-dimethoxy-5-(4-methoxyphenyl)-6-methylcyclohexa-2,5-diene-1,4-dione
CID 53495227
3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one
CID 174799833

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one?
The IUPAC name of (4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one (CID 132509690) is (4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for (4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one?
The canonical SMILES for (4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one is COc1ccc(/C=C2\CC(=O)C(c3ccc(OC)cc3)=C2C)cc1.
What is the InChIKey of (4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one?
The InChIKey is BCPYVRSFNFXMNU-SFQUDFHCSA-N. The full InChI is InChI=1S/C21H20O3/c1-14-17(12-15-4-8-18(23-2)9-5-15)13-20(22)21(14)16-6-10-19(24-3)11-7-16/h4-12H,13H2,1-3H3/b17-12+.
What are the key properties of (4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one?
(4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one has a molecular weight of 320.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 132509690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).