3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one

C25H20Cl2O5 — CID 10412464

IUPAC3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one
SMILESCOc1ccc(CC2=C(c3ccc(Cl)c(Cl)c3)C(=O)OC2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H20Cl2O5/c1-30-18-8-3-15(4-9-18)13-20-23(16-5-12-21(26)22(27)14-16)24(28)32-25(20,29)17-6-10-19(31-2)11-7-17/h3-12,14,29H,13H2,1-2H3
InChIKeyRYEVVTBWAHSOKY-UHFFFAOYSA-N
MW471.34 g/mol
LogP5.41
Rot. Bonds6

About 3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one

3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one (PubChem CID 10412464) has the molecular formula C25H20Cl2O5 and a molecular weight of 471.34 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one
PubChem CID10412464
Molecular FormulaC25H20Cl2O5
Molecular Weight471.34 g/mol
Exact Mass470.07
IUPAC Name3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one
SMILESCOc1ccc(CC2=C(c3ccc(Cl)c(Cl)c3)C(=O)OC2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H20Cl2O5/c1-30-18-8-3-15(4-9-18)13-20-23(16-5-12-21(26)22(27)14-16)24(28)32-25(20,29)17-6-10-19(31-2)11-7-17/h3-12,14,29H,13H2,1-2H3
InChIKeyRYEVVTBWAHSOKY-UHFFFAOYSA-N
XLogP5.41
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.34
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one (CID 10412464) is 3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one is COc1ccc(CC2=C(c3ccc(Cl)c(Cl)c3)C(=O)OC2(O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one?
The InChIKey is RYEVVTBWAHSOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2O5/c1-30-18-8-3-15(4-9-18)13-20-23(16-5-12-21(26)22(27)14-16)24(28)32-25(20,29)17-6-10-19(31-2)11-7-17/h3-12,14,29H,13H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one?
3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one has a molecular weight of 471.34 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]furan-2-one is sourced from PubChem (CID 10412464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).