4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid

C25H18O4 — CID 139775356

IUPAC4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C25H18O4/c26-23-9-5-17(6-10-23)21-13-20(16-1-3-19(4-2-16)25(28)29)14-22(15-21)18-7-11-24(27)12-8-18/h1-15,26-27H,(H,28,29)
InChIKeyWOEWMKHFAAMNMU-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.80
Rot. Bonds4

About 4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid

4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid (PubChem CID 139775356) has the molecular formula C25H18O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid
PubChem CID139775356
Molecular FormulaC25H18O4
Molecular Weight382.42 g/mol
Exact Mass382.12
IUPAC Name4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C25H18O4/c26-23-9-5-17(6-10-23)21-13-20(16-1-3-19(4-2-16)25(28)29)14-22(15-21)18-7-11-24(27)12-8-18/h1-15,26-27H,(H,28,29)
InChIKeyWOEWMKHFAAMNMU-UHFFFAOYSA-N
XLogP5.80
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-(4-hydroxyphenyl)benzoic acid
CID 91010322
4-hydroxy(11C)benzoic acid
CID 11275035
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
sodium;4-hydroxybenzoic acid;hydroxide
CID 161288203
formaldehyde;4-hydroxybenzoic acid
CID 68624082
ethene;bis(4-hydroxybenzoic acid)
CID 158613514
4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid
CID 175428259
4-(3-hydroxy-5-methylphenyl)benzoic acid
CID 53218919
4-[4-[3,5-bis[4-(4-formylphenyl)phenyl]phenyl]phenyl]benzoic acid
CID 90463094
4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid?
The IUPAC name of 4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid (CID 139775356) is 4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid.
What is the SMILES notation for 4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid?
The canonical SMILES for 4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid is O=C(O)c1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc(O)cc3)c2)cc1.
What is the InChIKey of 4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid?
The InChIKey is WOEWMKHFAAMNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O4/c26-23-9-5-17(6-10-23)21-13-20(16-1-3-19(4-2-16)25(28)29)14-22(15-21)18-7-11-24(27)12-8-18/h1-15,26-27H,(H,28,29).
What are the key properties of 4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid?
4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid has a molecular weight of 382.42 g/mol, XLogP of 5.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid is sourced from PubChem (CID 139775356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).