(3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one

C20H18O3 — CID 2263582

IUPAC(3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
SMILESCOc1ccc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)c(C)c1
InChIInChI=1S/C20H18O3/c1-13-4-6-15(7-5-13)19-12-17(20(21)23-19)11-16-8-9-18(22-3)10-14(16)2/h4-12H,1-3H3/b17-11-
InChIKeyYYIPEAKROOBVJQ-BOPFTXTBSA-N
MW306.36 g/mol
LogP4.29
Rot. Bonds3

About (3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one

(3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one (PubChem CID 2263582) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is (3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
PubChem CID2263582
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name(3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
SMILESCOc1ccc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)c(C)c1
InChIInChI=1S/C20H18O3/c1-13-4-6-15(7-5-13)19-12-17(20(21)23-19)11-16-8-9-18(22-3)10-14(16)2/h4-12H,1-3H3/b17-11-
InChIKeyYYIPEAKROOBVJQ-BOPFTXTBSA-N
XLogP4.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(2,5-dimethoxyphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
CID 2860642
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 754604
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
CID 126059452
(3E)-3-[(3-methoxy-4-methylphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 750855
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
CID 126057330
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
(3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 20831470
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one
CID 20831433
3-[(2,3-dimethoxyphenyl)methylidene]-5-(4-methylphenyl)furan-2-one
CID 867927
(3E)-5-(4-methoxyphenyl)-3-[(5-methylfuran-2-yl)methylidene]furan-2-one
CID 750908
3-[(3-methoxyphenyl)methylidene]-5-(6-methylnaphthalen-2-yl)furan-2-one
CID 869164
5-(4-methoxyphenyl)-3-(pyridin-4-ylmethylidene)furan-2-one
CID 795137

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one?
The IUPAC name of (3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one (CID 2263582) is (3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one.
What is the SMILES notation for (3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one?
The canonical SMILES for (3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one is COc1ccc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)c(C)c1.
What is the InChIKey of (3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one?
The InChIKey is YYIPEAKROOBVJQ-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H18O3/c1-13-4-6-15(7-5-13)19-12-17(20(21)23-19)11-16-8-9-18(22-3)10-14(16)2/h4-12H,1-3H3/b17-11-.
What are the key properties of (3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one?
(3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one has a molecular weight of 306.36 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-methoxy-2-methylphenyl)methylidene]-5-(4-methylphenyl)furan-2-one is sourced from PubChem (CID 2263582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).