(5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one

C25H18Cl2O3 — CID 54728597

IUPAC(5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one
SMILESCc1ccccc1-c1ccc(/C=C2\OC(=O)C(c3cc(Cl)cc(Cl)c3)=C2O)cc1C
InChIInChI=1S/C25H18Cl2O3/c1-14-5-3-4-6-20(14)21-8-7-16(9-15(21)2)10-22-24(28)23(25(29)30-22)17-11-18(26)13-19(27)12-17/h3-13,28H,1-2H3/b22-10-
InChIKeySGTUEVGHDRXPJU-YVNNLAQVSA-N
MW437.32 g/mol
LogP7.14
Rot. Bonds3

About (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one

(5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one (PubChem CID 54728597) has the molecular formula C25H18Cl2O3 and a molecular weight of 437.32 g/mol. Its IUPAC name is (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one
PubChem CID54728597
Molecular FormulaC25H18Cl2O3
Molecular Weight437.32 g/mol
Exact Mass436.06
IUPAC Name(5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one
SMILESCc1ccccc1-c1ccc(/C=C2\OC(=O)C(c3cc(Cl)cc(Cl)c3)=C2O)cc1C
InChIInChI=1S/C25H18Cl2O3/c1-14-5-3-4-6-20(14)21-8-7-16(9-15(21)2)10-22-24(28)23(25(29)30-22)17-11-18(26)13-19(27)12-17/h3-13,28H,1-2H3/b22-10-
InChIKeySGTUEVGHDRXPJU-YVNNLAQVSA-N
XLogP7.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.32
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one?
The IUPAC name of (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one (CID 54728597) is (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one.
What is the SMILES notation for (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one?
The canonical SMILES for (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one is Cc1ccccc1-c1ccc(/C=C2\OC(=O)C(c3cc(Cl)cc(Cl)c3)=C2O)cc1C.
What is the InChIKey of (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one?
The InChIKey is SGTUEVGHDRXPJU-YVNNLAQVSA-N. The full InChI is InChI=1S/C25H18Cl2O3/c1-14-5-3-4-6-20(14)21-8-7-16(9-15(21)2)10-22-24(28)23(25(29)30-22)17-11-18(26)13-19(27)12-17/h3-13,28H,1-2H3/b22-10-.
What are the key properties of (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one?
(5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one has a molecular weight of 437.32 g/mol, XLogP of 7.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3,5-dichlorophenyl)-4-hydroxy-5-[[3-methyl-4-(2-methylphenyl)phenyl]methylidene]furan-2-one is sourced from PubChem (CID 54728597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).