2-hydroxy-3-phenylbenzoic acid;hydrate

C13H12O4 — CID 141168272

IUPAC2-hydroxy-3-phenylbenzoic acid;hydrate
SMILESO.O=C(O)c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C13H10O3.H2O/c14-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(15)16;/h1-8,14H,(H,15,16);1H2
InChIKeyMIGLMYGPYYOONT-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.93
Rot. Bonds2

About 2-hydroxy-3-phenylbenzoic acid;hydrate

2-hydroxy-3-phenylbenzoic acid;hydrate (PubChem CID 141168272) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-hydroxy-3-phenylbenzoic acid;hydrate.

Molecular Properties

Compound Name2-hydroxy-3-phenylbenzoic acid;hydrate
PubChem CID141168272
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name2-hydroxy-3-phenylbenzoic acid;hydrate
SMILESO.O=C(O)c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C13H10O3.H2O/c14-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(15)16;/h1-8,14H,(H,15,16);1H2
InChIKeyMIGLMYGPYYOONT-UHFFFAOYSA-N
XLogP1.93
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-(2-phenylphenyl)benzoic acid
CID 67822406
(2-hydroxy-3-phenylphenyl)-pyrrolidin-1-ylmethanone
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2-[2-(2-phenylphenyl)phenyl]benzoic acid
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acetylene;2-phenylbenzoic acid
CID 67726329
3-phenylphthalic acid;dihydrobromide
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2-hydroxy-3-phenanthren-3-ylbenzoic acid
CID 174782186
2-hydroxybenzene-1,3-dicarboxylic acid;methane
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CID 154380547
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
3-phenyl-2-sulfanylcarbonylbenzoic acid
CID 88677221
2-hydroxy-3-methyl-4-(2-phenylphenyl)benzoic acid
CID 19102967
ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide
CID 142000932

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phenylbenzoic acid;hydrate?
The IUPAC name of 2-hydroxy-3-phenylbenzoic acid;hydrate (CID 141168272) is 2-hydroxy-3-phenylbenzoic acid;hydrate.
What is the SMILES notation for 2-hydroxy-3-phenylbenzoic acid;hydrate?
The canonical SMILES for 2-hydroxy-3-phenylbenzoic acid;hydrate is O.O=C(O)c1cccc(-c2ccccc2)c1O.
What is the InChIKey of 2-hydroxy-3-phenylbenzoic acid;hydrate?
The InChIKey is MIGLMYGPYYOONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3.H2O/c14-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(15)16;/h1-8,14H,(H,15,16);1H2.
What are the key properties of 2-hydroxy-3-phenylbenzoic acid;hydrate?
2-hydroxy-3-phenylbenzoic acid;hydrate has a molecular weight of 232.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-phenylbenzoic acid;hydrate is sourced from PubChem (CID 141168272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).