3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one

C32H22O4 — CID 54054786

IUPAC3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
SMILESO=C1OC(c2ccc(O)cc2)(c2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C32H22O4/c33-25-17-15-23(16-18-25)32(29-14-8-7-13-26(29)31(35)36-32)24-19-27(21-9-3-1-4-10-21)30(34)28(20-24)22-11-5-2-6-12-22/h1-20,33-34H
InChIKeyLVMCMMOPNZZVLM-UHFFFAOYSA-N
MW470.52 g/mol
LogP6.89
Rot. Bonds4

About 3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one

3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one (PubChem CID 54054786) has the molecular formula C32H22O4 and a molecular weight of 470.52 g/mol. Its IUPAC name is 3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
PubChem CID54054786
Molecular FormulaC32H22O4
Molecular Weight470.52 g/mol
Exact Mass470.15
IUPAC Name3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one
SMILESO=C1OC(c2ccc(O)cc2)(c2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C32H22O4/c33-25-17-15-23(16-18-25)32(29-14-8-7-13-26(29)31(35)36-32)24-19-27(21-9-3-1-4-10-21)30(34)28(20-24)22-11-5-2-6-12-22/h1-20,33-34H
InChIKeyLVMCMMOPNZZVLM-UHFFFAOYSA-N
XLogP6.89
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.52
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one?
The IUPAC name of 3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one (CID 54054786) is 3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one.
What is the SMILES notation for 3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one?
The canonical SMILES for 3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one is O=C1OC(c2ccc(O)cc2)(c2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)c2ccccc21.
What is the InChIKey of 3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one?
The InChIKey is LVMCMMOPNZZVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O4/c33-25-17-15-23(16-18-25)32(29-14-8-7-13-26(29)31(35)36-32)24-19-27(21-9-3-1-4-10-21)30(34)28(20-24)22-11-5-2-6-12-22/h1-20,33-34H.
What are the key properties of 3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one?
3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one has a molecular weight of 470.52 g/mol, XLogP of 6.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3,5-diphenylphenyl)-3-(4-hydroxyphenyl)-2-benzofuran-1-one is sourced from PubChem (CID 54054786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).