4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid

C15H13NO6 — CID 19604448

IUPAC4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid
SMILESCOc1ccccc1-c1cc(OC)c([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C15H13NO6/c1-21-13-6-4-3-5-9(13)10-8-14(22-2)12(16(19)20)7-11(10)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyXHLXUXOWQGIWMI-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.98
Rot. Bonds5

About 4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid

4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid (PubChem CID 19604448) has the molecular formula C15H13NO6 and a molecular weight of 303.27 g/mol. Its IUPAC name is 4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid
PubChem CID19604448
Molecular FormulaC15H13NO6
Molecular Weight303.27 g/mol
Exact Mass303.07
IUPAC Name4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid
SMILESCOc1ccccc1-c1cc(OC)c([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C15H13NO6/c1-21-13-6-4-3-5-9(13)10-8-14(22-2)12(16(19)20)7-11(10)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKeyXHLXUXOWQGIWMI-UHFFFAOYSA-N
XLogP2.98
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(2-methoxyphenyl)-2-nitrobenzoic acid
CID 141393967
2-fluoro-5-(2-methoxyphenyl)-3-nitrobenzoic acid
CID 171121619
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
4-methoxy-3-(2-nitrophenyl)benzoic acid
CID 82039203
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
methyl 2-(2-methoxyphenyl)-3-nitrobenzoate
CID 22740443
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
2,4-dimethoxy-5-nitrobenzoyl chloride
CID 21406539

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid?
The IUPAC name of 4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid (CID 19604448) is 4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid.
What is the SMILES notation for 4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid?
The canonical SMILES for 4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid is COc1ccccc1-c1cc(OC)c([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid?
The InChIKey is XHLXUXOWQGIWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO6/c1-21-13-6-4-3-5-9(13)10-8-14(22-2)12(16(19)20)7-11(10)15(17)18/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid?
4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid has a molecular weight of 303.27 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methoxyphenyl)-5-nitrobenzoic acid is sourced from PubChem (CID 19604448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).