4-amino-3-(2-methoxyphenyl)benzoic acid

C14H13NO3 — CID 82293590

IUPAC4-amino-3-(2-methoxyphenyl)benzoic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)ccc1N
InChIInChI=1S/C14H13NO3/c1-18-13-5-3-2-4-10(13)11-8-9(14(16)17)6-7-12(11)15/h2-8H,15H2,1H3,(H,16,17)
InChIKeySQLDRYWEPFYQNJ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.64
Rot. Bonds3

About 4-amino-3-(2-methoxyphenyl)benzoic acid

4-amino-3-(2-methoxyphenyl)benzoic acid (PubChem CID 82293590) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-amino-3-(2-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-amino-3-(2-methoxyphenyl)benzoic acid
PubChem CID82293590
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name4-amino-3-(2-methoxyphenyl)benzoic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)ccc1N
InChIInChI=1S/C14H13NO3/c1-18-13-5-3-2-4-10(13)11-8-9(14(16)17)6-7-12(11)15/h2-8H,15H2,1H3,(H,16,17)
InChIKeySQLDRYWEPFYQNJ-UHFFFAOYSA-N
XLogP2.64
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.64
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-amino-3-methoxybenzoic acid;ethane
CID 91282219
3-(2-aminophenyl)-4,5-dimethoxybenzoic acid
CID 82038920
3-(2-methoxyphenyl)benzoic acid
CID 2759547
4-(2-aminophenoxy)-3-methoxybenzoic acid
CID 69280746
3-fluoro-5-(2-methoxyphenyl)-4-methylbenzoic acid
CID 176508630
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
4-methoxy-3-(2-nitrophenyl)benzoic acid
CID 82039203
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
3-hydroxy-5-(2-methoxyphenyl)benzoic acid
CID 53225397
3-chloro-5-(2-methoxyphenyl)benzoic acid
CID 53225406
3-(3-hydroxyphenyl)-4-methoxybenzoic acid
CID 115045204
4-amino-3-(3,5-dimethylphenyl)benzoic acid
CID 82292985

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methoxyphenyl)benzoic acid?
The IUPAC name of 4-amino-3-(2-methoxyphenyl)benzoic acid (CID 82293590) is 4-amino-3-(2-methoxyphenyl)benzoic acid.
What is the SMILES notation for 4-amino-3-(2-methoxyphenyl)benzoic acid?
The canonical SMILES for 4-amino-3-(2-methoxyphenyl)benzoic acid is COc1ccccc1-c1cc(C(=O)O)ccc1N.
What is the InChIKey of 4-amino-3-(2-methoxyphenyl)benzoic acid?
The InChIKey is SQLDRYWEPFYQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-13-5-3-2-4-10(13)11-8-9(14(16)17)6-7-12(11)15/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-3-(2-methoxyphenyl)benzoic acid?
4-amino-3-(2-methoxyphenyl)benzoic acid has a molecular weight of 243.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-methoxyphenyl)benzoic acid is sourced from PubChem (CID 82293590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).