2-[2-(2-hydroxyethyl)anilino]benzoic acid

C15H15NO3 — CID 10956213

IUPAC2-[2-(2-hydroxyethyl)anilino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccccc1CCO
InChIInChI=1S/C15H15NO3/c17-10-9-11-5-1-3-7-13(11)16-14-8-4-2-6-12(14)15(18)19/h1-8,16-17H,9-10H2,(H,18,19)
InChIKeyJNPHEWSVEMANER-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.66
Rot. Bonds5

About 2-[2-(2-hydroxyethyl)anilino]benzoic acid

2-[2-(2-hydroxyethyl)anilino]benzoic acid (PubChem CID 10956213) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)anilino]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)anilino]benzoic acid
PubChem CID10956213
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[2-(2-hydroxyethyl)anilino]benzoic acid
SMILESO=C(O)c1ccccc1Nc1ccccc1CCO
InChIInChI=1S/C15H15NO3/c17-10-9-11-5-1-3-7-13(11)16-14-8-4-2-6-12(14)15(18)19/h1-8,16-17H,9-10H2,(H,18,19)
InChIKeyJNPHEWSVEMANER-UHFFFAOYSA-N
XLogP2.66
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(hydroxymethyl)-2-methylanilino]benzoic acid
CID 610738
2-[2-[2-(3,4-dichlorophenyl)ethyl]anilino]benzoic acid
CID 22269852
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-[2-[3-[4-(diethylamino)phenyl]propyl]anilino]benzoic acid
CID 22269735
2-[3-(iodomethyl)-2-methylanilino]benzoic acid
CID 129146645
4,6-bis(2-hydroxyethyl)benzene-1,3-dicarboxylic acid
CID 139624390
2-(4-hydroxyanilino)benzoic acid
CID 11593806
2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
CID 10385313
2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid
CID 102907729
2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid
CID 170908709
2-[4,5-dicarbamoyl-2-(2-carboxyanilino)anilino]benzoic acid
CID 22076419

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)anilino]benzoic acid?
The IUPAC name of 2-[2-(2-hydroxyethyl)anilino]benzoic acid (CID 10956213) is 2-[2-(2-hydroxyethyl)anilino]benzoic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)anilino]benzoic acid?
The canonical SMILES for 2-[2-(2-hydroxyethyl)anilino]benzoic acid is O=C(O)c1ccccc1Nc1ccccc1CCO.
What is the InChIKey of 2-[2-(2-hydroxyethyl)anilino]benzoic acid?
The InChIKey is JNPHEWSVEMANER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-10-9-11-5-1-3-7-13(11)16-14-8-4-2-6-12(14)15(18)19/h1-8,16-17H,9-10H2,(H,18,19).
What are the key properties of 2-[2-(2-hydroxyethyl)anilino]benzoic acid?
2-[2-(2-hydroxyethyl)anilino]benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)anilino]benzoic acid is sourced from PubChem (CID 10956213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).