4-methoxy-3-(2-nitrophenyl)benzoic acid

C14H11NO5 — CID 82039203

IUPAC4-methoxy-3-(2-nitrophenyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11NO5/c1-20-13-7-6-9(14(16)17)8-11(13)10-4-2-3-5-12(10)15(18)19/h2-8H,1H3,(H,16,17)
InChIKeyVXRSFYYEVQFJBJ-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.97
Rot. Bonds4

About 4-methoxy-3-(2-nitrophenyl)benzoic acid

4-methoxy-3-(2-nitrophenyl)benzoic acid (PubChem CID 82039203) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-methoxy-3-(2-nitrophenyl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(2-nitrophenyl)benzoic acid
PubChem CID82039203
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name4-methoxy-3-(2-nitrophenyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11NO5/c1-20-13-7-6-9(14(16)17)8-11(13)10-4-2-3-5-12(10)15(18)19/h2-8H,1H3,(H,16,17)
InChIKeyVXRSFYYEVQFJBJ-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'}

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Related Compounds

4-methoxy-3-(5-methyl-2-nitrophenyl)benzoic acid
CID 82039510
4-(5-fluoro-2-methoxyphenyl)-3-nitrobenzoic acid
CID 82772402
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene
CID 22147723
4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid
CID 19604448
benzoyl 4-methoxy-3-nitrobenzoate;3-methoxy-4-nitrobenzoic acid
CID 174479588
4-amino-3-(2-methoxyphenyl)benzoic acid
CID 82293590
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
4-(4-methoxy-3-nitrophenoxy)benzoic acid
CID 103201557
3-[(3,4-dimethoxyphenyl)methyl]-2-(2-nitrophenyl)-4H-quinazoline-7-carboxylic acid
CID 102301421
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid
CID 2405242

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-nitrophenyl)benzoic acid?
The IUPAC name of 4-methoxy-3-(2-nitrophenyl)benzoic acid (CID 82039203) is 4-methoxy-3-(2-nitrophenyl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(2-nitrophenyl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(2-nitrophenyl)benzoic acid is COc1ccc(C(=O)O)cc1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-(2-nitrophenyl)benzoic acid?
The InChIKey is VXRSFYYEVQFJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-20-13-7-6-9(14(16)17)8-11(13)10-4-2-3-5-12(10)15(18)19/h2-8H,1H3,(H,16,17).
What are the key properties of 4-methoxy-3-(2-nitrophenyl)benzoic acid?
4-methoxy-3-(2-nitrophenyl)benzoic 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 4-methoxy-3-(2-nitrophenyl)benzoic acid is sourced from PubChem (CID 82039203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).