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

C26H24O5 — CID 10047521

IUPAC5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)furan-2-one
SMILESCOc1ccc(CC2=C(c3ccc(C)cc3)C(=O)OC2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24O5/c1-17-4-8-19(9-5-17)24-23(16-18-6-12-21(29-2)13-7-18)26(28,31-25(24)27)20-10-14-22(30-3)15-11-20/h4-15,28H,16H2,1-3H3
InChIKeyOKZRQVZTVLKRLK-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.41
Rot. Bonds6

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

5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)furan-2-one (PubChem CID 10047521) has the molecular formula C26H24O5 and a molecular weight of 416.47 g/mol. Its IUPAC name is 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)furan-2-one.

Molecular Properties

Compound Name5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)furan-2-one
PubChem CID10047521
Molecular FormulaC26H24O5
Molecular Weight416.47 g/mol
Exact Mass416.16
IUPAC Name5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)furan-2-one
SMILESCOc1ccc(CC2=C(c3ccc(C)cc3)C(=O)OC2(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24O5/c1-17-4-8-19(9-5-17)24-23(16-18-6-12-21(29-2)13-7-18)26(28,31-25(24)27)20-10-14-22(30-3)15-11-20/h4-15,28H,16H2,1-3H3
InChIKeyOKZRQVZTVLKRLK-UHFFFAOYSA-N
XLogP4.41
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)furan-2-one?
The IUPAC name of 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)furan-2-one (CID 10047521) is 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)furan-2-one.
What is the SMILES notation for 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)furan-2-one?
The canonical SMILES for 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)furan-2-one is COc1ccc(CC2=C(c3ccc(C)cc3)C(=O)OC2(O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)furan-2-one?
The InChIKey is OKZRQVZTVLKRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O5/c1-17-4-8-19(9-5-17)24-23(16-18-6-12-21(29-2)13-7-18)26(28,31-25(24)27)20-10-14-22(30-3)15-11-20/h4-15,28H,16H2,1-3H3.
What are the key properties of 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)furan-2-one?
5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)furan-2-one has a molecular weight of 416.47 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)furan-2-one is sourced from PubChem (CID 10047521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).