4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid

C19H14O4 — CID 175428259

IUPAC4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(O)ccc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H14O4/c20-15-7-5-12(6-8-15)17-10-9-16(21)11-18(17)13-1-3-14(4-2-13)19(22)23/h1-11,20-21H,(H,22,23)
InChIKeyVFDSGOMNNHUQNI-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.13
Rot. Bonds3

About 4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid

4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid (PubChem CID 175428259) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid
PubChem CID175428259
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(O)ccc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H14O4/c20-15-7-5-12(6-8-15)17-10-9-16(21)11-18(17)13-1-3-14(4-2-13)19(22)23/h1-11,20-21H,(H,22,23)
InChIKeyVFDSGOMNNHUQNI-UHFFFAOYSA-N
XLogP4.13
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid
CID 139775356
4-[4-hydroxy-2-(4-octylphenyl)phenyl]benzoic acid
CID 67864428
4-hydroxy(11C)benzoic acid
CID 11275035
ethane;4-(4-hydroxyphenyl)benzoic acid
CID 91010322
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid
CID 57386408
sodium;4-hydroxybenzoic acid;hydroxide
CID 161288203
formaldehyde;4-hydroxybenzoic acid
CID 68624082
ethene;bis(4-hydroxybenzoic acid)
CID 158613514
methyl 3,4-bis(4-hydroxyphenyl)benzoate
CID 22669999

Frequently Asked Questions

What is the IUPAC name of 4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid?
The IUPAC name of 4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid (CID 175428259) is 4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid.
What is the SMILES notation for 4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid?
The canonical SMILES for 4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid is O=C(O)c1ccc(-c2cc(O)ccc2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid?
The InChIKey is VFDSGOMNNHUQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c20-15-7-5-12(6-8-15)17-10-9-16(21)11-18(17)13-1-3-14(4-2-13)19(22)23/h1-11,20-21H,(H,22,23).
What are the key properties of 4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid?
4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid has a molecular weight of 306.32 g/mol, XLogP of 4.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid is sourced from PubChem (CID 175428259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).