4-amino-2-(4-ethoxyphenyl)benzoic acid

C15H15NO3 — CID 82299863

IUPAC4-amino-2-(4-ethoxyphenyl)benzoic acid
SMILESCCOc1ccc(-c2cc(N)ccc2C(=O)O)cc1
InChIInChI=1S/C15H15NO3/c1-2-19-12-6-3-10(4-7-12)14-9-11(16)5-8-13(14)15(17)18/h3-9H,2,16H2,1H3,(H,17,18)
InChIKeyBPEPXPTTZUFOPT-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.03
Rot. Bonds4

About 4-amino-2-(4-ethoxyphenyl)benzoic acid

4-amino-2-(4-ethoxyphenyl)benzoic acid (PubChem CID 82299863) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-amino-2-(4-ethoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(4-ethoxyphenyl)benzoic acid
PubChem CID82299863
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-amino-2-(4-ethoxyphenyl)benzoic acid
SMILESCCOc1ccc(-c2cc(N)ccc2C(=O)O)cc1
InChIInChI=1S/C15H15NO3/c1-2-19-12-6-3-10(4-7-12)14-9-11(16)5-8-13(14)15(17)18/h3-9H,2,16H2,1H3,(H,17,18)
InChIKeyBPEPXPTTZUFOPT-UHFFFAOYSA-N
XLogP3.03
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(4-ethoxyphenyl)benzoic acid
CID 107989630
methyl 5-amino-2-(4-ethoxyphenyl)benzoate
CID 168665644
4-amino-3-(4-ethoxyphenyl)benzoic acid
CID 82299861
4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
2-(4-butoxyphenyl)-4-hexoxybenzoic acid
CID 70214370
4-ethoxy-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]benzoic acid
CID 172717464
4-amino-2-(3-methoxyphenyl)benzoic acid
CID 82293595
2-[4-(5-amino-2-methylphenyl)phenoxy]acetic acid
CID 82039012
2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid
CID 53443474
2-amino-4-(4-ethoxyanilino)benzoic acid
CID 104500077
6-(4-ethoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carboxylic acid
CID 94283856
4-(2-ethoxyethoxy)-2-phenylbenzoic acid
CID 70387359

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-ethoxyphenyl)benzoic acid?
The IUPAC name of 4-amino-2-(4-ethoxyphenyl)benzoic acid (CID 82299863) is 4-amino-2-(4-ethoxyphenyl)benzoic acid.
What is the SMILES notation for 4-amino-2-(4-ethoxyphenyl)benzoic acid?
The canonical SMILES for 4-amino-2-(4-ethoxyphenyl)benzoic acid is CCOc1ccc(-c2cc(N)ccc2C(=O)O)cc1.
What is the InChIKey of 4-amino-2-(4-ethoxyphenyl)benzoic acid?
The InChIKey is BPEPXPTTZUFOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-19-12-6-3-10(4-7-12)14-9-11(16)5-8-13(14)15(17)18/h3-9H,2,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-2-(4-ethoxyphenyl)benzoic acid?
4-amino-2-(4-ethoxyphenyl)benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-ethoxyphenyl)benzoic acid is sourced from PubChem (CID 82299863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).