4-amino-3-[(3-methylphenyl)methoxy]benzoic acid

C15H15NO3 — CID 43379889

IUPAC4-amino-3-[(3-methylphenyl)methoxy]benzoic acid
SMILESCc1cccc(COc2cc(C(=O)O)ccc2N)c1
InChIInChI=1S/C15H15NO3/c1-10-3-2-4-11(7-10)9-19-14-8-12(15(17)18)5-6-13(14)16/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyUMKHISCGQXQNFP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.85
Rot. Bonds4

About 4-amino-3-[(3-methylphenyl)methoxy]benzoic acid

4-amino-3-[(3-methylphenyl)methoxy]benzoic acid (PubChem CID 43379889) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-amino-3-[(3-methylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-amino-3-[(3-methylphenyl)methoxy]benzoic acid
PubChem CID43379889
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-amino-3-[(3-methylphenyl)methoxy]benzoic acid
SMILESCc1cccc(COc2cc(C(=O)O)ccc2N)c1
InChIInChI=1S/C15H15NO3/c1-10-3-2-4-11(7-10)9-19-14-8-12(15(17)18)5-6-13(14)16/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyUMKHISCGQXQNFP-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3-[(3-methylphenyl)methoxy]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

methyl 4-amino-3-[(3-methylphenyl)methoxy]benzoate
CID 43380191
3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
CID 82051650
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
3-[(2-chloro-4-methylphenoxy)methyl]benzoic acid
CID 62669913
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672
3-[(3-methylphenyl)methoxy]phthalic acid
CID 66906397
(3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone
CID 175194329
3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid
CID 63464346
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733
5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089
4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide
CID 82828617

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(3-methylphenyl)methoxy]benzoic acid?
The IUPAC name of 4-amino-3-[(3-methylphenyl)methoxy]benzoic acid (CID 43379889) is 4-amino-3-[(3-methylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-amino-3-[(3-methylphenyl)methoxy]benzoic acid?
The canonical SMILES for 4-amino-3-[(3-methylphenyl)methoxy]benzoic acid is Cc1cccc(COc2cc(C(=O)O)ccc2N)c1.
What is the InChIKey of 4-amino-3-[(3-methylphenyl)methoxy]benzoic acid?
The InChIKey is UMKHISCGQXQNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-3-2-4-11(7-10)9-19-14-8-12(15(17)18)5-6-13(14)16/h2-8H,9,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-3-[(3-methylphenyl)methoxy]benzoic acid?
4-amino-3-[(3-methylphenyl)methoxy]benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(3-methylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 43379889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).