3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one

C20H14O4 — CID 4764

💊View drug profile → phenolphthalein
IUPAC3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
SMILESO=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
InChIKeyKJFMBFZCATUALV-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.56
Rot. Bonds2

About 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one

3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one (PubChem CID 4764) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
PubChem CID4764
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
SMILESO=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
InChIKeyKJFMBFZCATUALV-UHFFFAOYSA-N
XLogP3.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Fluorescein
CID 16850
Tetrabromophenolphthalein
CID 65569
Cresolphthalein
CID 68995
Thymolphthalein
CID 31316
Iodophthalein
CID 67846
Phenolphthalin
CID 66494
alpha-Naphtholphthalein
CID 68993
D&C Orange No. 10
CID 92311
Butanoic acid, 1,1'-((3-oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene) ester
CID 98158
Mls002608257
CID 237296
2-(4-Phenoxybenzoyl)benzoic acid
CID 746519
3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone tetraiodo deriv.
CID 207344

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one?
The IUPAC name of 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one (CID 4764) is 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one.
What is the SMILES notation for 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one?
The canonical SMILES for 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one is O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one?
The InChIKey is KJFMBFZCATUALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H.
What are the key properties of 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one?
3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one has a molecular weight of 318.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one is sourced from PubChem (CID 4764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).