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

C19H16O2 — CID 794813

IUPAC(3E)-5-(4-methylphenyl)-3-[(4-methylphenyl)methylidene]furan-2-one
SMILESCc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1
InChIInChI=1S/C19H16O2/c1-13-3-7-15(8-4-13)11-17-12-18(21-19(17)20)16-9-5-14(2)6-10-16/h3-12H,1-2H3/b17-11+
InChIKeyUZVCNRKREMGPBV-GZTJUZNOSA-N
MW276.34 g/mol
LogP4.28
Rot. Bonds2

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

(3E)-5-(4-methylphenyl)-3-[(4-methylphenyl)methylidene]furan-2-one (PubChem CID 794813) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3E)-5-(4-methylphenyl)-3-[(4-methylphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(3E)-5-(4-methylphenyl)-3-[(4-methylphenyl)methylidene]furan-2-one
PubChem CID794813
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name(3E)-5-(4-methylphenyl)-3-[(4-methylphenyl)methylidene]furan-2-one
SMILESCc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1
InChIInChI=1S/C19H16O2/c1-13-3-7-15(8-4-13)11-17-12-18(21-19(17)20)16-9-5-14(2)6-10-16/h3-12H,1-2H3/b17-11+
InChIKeyUZVCNRKREMGPBV-GZTJUZNOSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Benzyl Cinnamate
CID 5273469
Benzyl tiglate
CID 250096
Benzyl 2,3-dimethylcrotonate
CID 61402
2-Propenoic acid, 3-phenyl-, phenylmethyl ester
CID 7652
2-Methyl-6-phenyl-4H-pyran-4-one
CID 120521
2,6-Diphenyl-4H-pyran-4-one
CID 283227
Benzyl alcohol, cinnamate
CID 15558051
Nigerapyrone B
CID 53483952
nigerapyrone A
CID 53493727
6-phenyl-2H-pyran-2-one
CID 5162569
4,6-diphenyl-2H-pyran-2-one
CID 296685
Benzyl angelate
CID 5368342

Frequently Asked Questions

What is the IUPAC name of (3E)-5-(4-methylphenyl)-3-[(4-methylphenyl)methylidene]furan-2-one?
The IUPAC name of (3E)-5-(4-methylphenyl)-3-[(4-methylphenyl)methylidene]furan-2-one (CID 794813) is (3E)-5-(4-methylphenyl)-3-[(4-methylphenyl)methylidene]furan-2-one.
What is the SMILES notation for (3E)-5-(4-methylphenyl)-3-[(4-methylphenyl)methylidene]furan-2-one?
The canonical SMILES for (3E)-5-(4-methylphenyl)-3-[(4-methylphenyl)methylidene]furan-2-one is Cc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1.
What is the InChIKey of (3E)-5-(4-methylphenyl)-3-[(4-methylphenyl)methylidene]furan-2-one?
The InChIKey is UZVCNRKREMGPBV-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H16O2/c1-13-3-7-15(8-4-13)11-17-12-18(21-19(17)20)16-9-5-14(2)6-10-16/h3-12H,1-2H3/b17-11+.
What are the key properties of (3E)-5-(4-methylphenyl)-3-[(4-methylphenyl)methylidene]furan-2-one?
(3E)-5-(4-methylphenyl)-3-[(4-methylphenyl)methylidene]furan-2-one has a molecular weight of 276.34 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-(4-methylphenyl)-3-[(4-methylphenyl)methylidene]furan-2-one is sourced from PubChem (CID 794813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).