2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid

C20H14O6 — CID 146356534

IUPAC2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1-c1cccc(-c2cc(O)ccc2C(=O)O)c1
InChIInChI=1S/C20H14O6/c21-13-4-6-15(19(23)24)17(9-13)11-2-1-3-12(8-11)18-10-14(22)5-7-16(18)20(25)26/h1-10,21-22H,(H,23,24)(H,25,26)
InChIKeyZSNQZDCLKOODFR-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.83
Rot. Bonds4

About 2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid

2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid (PubChem CID 146356534) has the molecular formula C20H14O6 and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid
PubChem CID146356534
Molecular FormulaC20H14O6
Molecular Weight350.33 g/mol
Exact Mass350.08
IUPAC Name2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1-c1cccc(-c2cc(O)ccc2C(=O)O)c1
InChIInChI=1S/C20H14O6/c21-13-4-6-15(19(23)24)17(9-13)11-2-1-3-12(8-11)18-10-14(22)5-7-16(18)20(25)26/h1-10,21-22H,(H,23,24)(H,25,26)
InChIKeyZSNQZDCLKOODFR-UHFFFAOYSA-N
XLogP3.83
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid
CID 69497360
4-chloro-2-(3-hydroxyphenyl)benzoic acid
CID 53224976
2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid
CID 141273895
potassium 4-hydroxy-2-phenylbenzoate
CID 69113981
3-(2,5-dihydroxyphenyl)phthalic acid
CID 151355033
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-hydroxybenzoic acid
CID 91051378
4-(1,3-benzoxazol-2-yl)-2-(3-hydroxyphenyl)benzoic acid
CID 70478884
3-(3-hydroxyphenyl)-2-methylbenzoic acid
CID 53224960
4-hydroxyphthalic acid;hydrate
CID 171991193
2,4-dihydroxybenzoic acid
CID 1491
4-[3-(2,4-dihydroxyphenyl)phenyl]benzene-1,3-diol
CID 153306376
4-chloro-2-phenylbenzoic acid
CID 11424784

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid?
The IUPAC name of 2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid (CID 146356534) is 2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid.
What is the SMILES notation for 2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid?
The canonical SMILES for 2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid is O=C(O)c1ccc(O)cc1-c1cccc(-c2cc(O)ccc2C(=O)O)c1.
What is the InChIKey of 2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid?
The InChIKey is ZSNQZDCLKOODFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O6/c21-13-4-6-15(19(23)24)17(9-13)11-2-1-3-12(8-11)18-10-14(22)5-7-16(18)20(25)26/h1-10,21-22H,(H,23,24)(H,25,26).
What are the key properties of 2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid?
2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid has a molecular weight of 350.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid is sourced from PubChem (CID 146356534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).