2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid

C19H16N2O3 — CID 174895889

IUPAC2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid
SMILESNc1ccc(-c2ccc(N)cc2Oc2ccccc2C(=O)O)cc1
InChIInChI=1S/C19H16N2O3/c20-13-7-5-12(6-8-13)15-10-9-14(21)11-18(15)24-17-4-2-1-3-16(17)19(22)23/h1-11H,20-21H2,(H,22,23)
InChIKeyAKZHESGBQZPVOO-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.01
Rot. Bonds4

About 2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid

2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid (PubChem CID 174895889) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid.

Molecular Properties

Compound Name2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid
PubChem CID174895889
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid
SMILESNc1ccc(-c2ccc(N)cc2Oc2ccccc2C(=O)O)cc1
InChIInChI=1S/C19H16N2O3/c20-13-7-5-12(6-8-13)15-10-9-14(21)11-18(15)24-17-4-2-1-3-16(17)19(22)23/h1-11H,20-21H2,(H,22,23)
InChIKeyAKZHESGBQZPVOO-UHFFFAOYSA-N
XLogP4.01
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid
CID 56607371
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
5-amino-2-[2-(4-amino-2-carboxyphenyl)-3-[2,3-bis(4-amino-2-carboxyphenyl)phenoxy]phenyl]benzoic acid
CID 141406920
5-amino-2-naphthalen-1-yloxybenzoic acid
CID 60987249
4-amino-2-(2-fluoro-3-methylphenoxy)benzoic acid
CID 107660000
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 60986559
2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63653260
3-(4-aminophenyl)phthalic acid
CID 150193527
2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid
CID 22723938
[2-(2,4-diaminophenoxy)phenyl]-phenylmethanone
CID 159196325
[2-(4-aminophenyl)phenyl] acetate
CID 68788383

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid?
The IUPAC name of 2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid (CID 174895889) is 2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid.
What is the SMILES notation for 2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid?
The canonical SMILES for 2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid is Nc1ccc(-c2ccc(N)cc2Oc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid?
The InChIKey is AKZHESGBQZPVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c20-13-7-5-12(6-8-13)15-10-9-14(21)11-18(15)24-17-4-2-1-3-16(17)19(22)23/h1-11H,20-21H2,(H,22,23).
What are the key properties of 2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid?
2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid has a molecular weight of 320.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid is sourced from PubChem (CID 174895889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).