3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid

C15H14ClNO3 — CID 60986682

IUPAC3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
SMILESCCc1cc(Oc2ccc(C(=O)O)cc2N)ccc1Cl
InChIInChI=1S/C15H14ClNO3/c1-2-9-7-11(4-5-12(9)16)20-14-6-3-10(15(18)19)8-13(14)17/h3-8H,2,17H2,1H3,(H,18,19)
InChIKeyFPJANYLYGWHNFM-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.98
Rot. Bonds4

About 3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid

3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid (PubChem CID 60986682) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid.

Molecular Properties

Compound Name3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
PubChem CID60986682
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
SMILESCCc1cc(Oc2ccc(C(=O)O)cc2N)ccc1Cl
InChIInChI=1S/C15H14ClNO3/c1-2-9-7-11(4-5-12(9)16)20-14-6-3-10(15(18)19)8-13(14)17/h3-8H,2,17H2,1H3,(H,18,19)
InChIKeyFPJANYLYGWHNFM-UHFFFAOYSA-N
XLogP3.98
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-(4-carboxyphenoxy)benzoic acid
CID 54426236
2-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
CID 104501025
4-chloro-3-ethylbenzoic acid
CID 21412279
5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid
CID 63460743
2-(4-chloro-3-ethylphenoxy)-5-nitroaniline
CID 63458584
2-(4-chloro-3-ethylphenoxy)pyrimidine-5-carboxylic acid
CID 113387803
3-bromo-4-(4-chloro-3-ethylphenoxy)benzenecarbothioamide
CID 82804589
3-amino-4-(4-methylsulfonylphenoxy)benzoic acid
CID 60987365
4-bromo-2-(4-chloro-3-ethylphenoxy)-5-fluoroaniline
CID 116736483
methyl 3-amino-4-(4-chloro-3-fluorophenoxy)benzoate
CID 82716912
3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
CID 43376930
4-[(4-chloro-3-ethylphenoxy)methyl]-3-fluorobenzoic acid
CID 63530976

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid?
The IUPAC name of 3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid (CID 60986682) is 3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid.
What is the SMILES notation for 3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid?
The canonical SMILES for 3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid is CCc1cc(Oc2ccc(C(=O)O)cc2N)ccc1Cl.
What is the InChIKey of 3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid?
The InChIKey is FPJANYLYGWHNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-2-9-7-11(4-5-12(9)16)20-14-6-3-10(15(18)19)8-13(14)17/h3-8H,2,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid?
3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid has a molecular weight of 291.73 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid is sourced from PubChem (CID 60986682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).