3-(2-methoxyphenyl)-2-nitrobenzoic acid

C14H11NO5 — CID 141393967

IUPAC3-(2-methoxyphenyl)-2-nitrobenzoic acid
SMILESCOc1ccccc1-c1cccc(C(=O)O)c1[N+](=O)[O-]
InChIInChI=1S/C14H11NO5/c1-20-12-8-3-2-5-9(12)10-6-4-7-11(14(16)17)13(10)15(18)19/h2-8H,1H3,(H,16,17)
InChIKeyWCZNIOCMKURXMG-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.97
Rot. Bonds4

About 3-(2-methoxyphenyl)-2-nitrobenzoic acid

3-(2-methoxyphenyl)-2-nitrobenzoic acid (PubChem CID 141393967) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-nitrobenzoic acid.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-nitrobenzoic acid
PubChem CID141393967
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name3-(2-methoxyphenyl)-2-nitrobenzoic acid
SMILESCOc1ccccc1-c1cccc(C(=O)O)c1[N+](=O)[O-]
InChIInChI=1S/C14H11NO5/c1-20-12-8-3-2-5-9(12)10-6-4-7-11(14(16)17)13(10)15(18)19/h2-8H,1H3,(H,16,17)
InChIKeyWCZNIOCMKURXMG-UHFFFAOYSA-N
XLogP2.97
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2-methoxyphenyl)-2-nitrobenzoic 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

2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid
CID 19604448
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
2-(3,5-dimethoxy-4-nitrophenoxy)benzoic acid
CID 175372250
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
3-(2-methoxyethoxy)-2-nitrobenzoic acid
CID 69405433
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
methyl 2-(2-methoxyphenyl)-3-nitrobenzoate
CID 22740443
2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid
CID 171121619
3-hydroxy-4-methoxy-2-nitrobenzoic acid
CID 12954168
4-methoxy-3-nitrophthalic acid
CID 22663212
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-nitrobenzoic acid?
The IUPAC name of 3-(2-methoxyphenyl)-2-nitrobenzoic acid (CID 141393967) is 3-(2-methoxyphenyl)-2-nitrobenzoic acid.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-nitrobenzoic acid?
The canonical SMILES for 3-(2-methoxyphenyl)-2-nitrobenzoic acid is COc1ccccc1-c1cccc(C(=O)O)c1[N+](=O)[O-].
What is the InChIKey of 3-(2-methoxyphenyl)-2-nitrobenzoic acid?
The InChIKey is WCZNIOCMKURXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-20-12-8-3-2-5-9(12)10-6-4-7-11(14(16)17)13(10)15(18)19/h2-8H,1H3,(H,16,17).
What are the key properties of 3-(2-methoxyphenyl)-2-nitrobenzoic acid?
3-(2-methoxyphenyl)-2-nitrobenzoic acid has a molecular weight of 273.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-nitrobenzoic acid is sourced from PubChem (CID 141393967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).