2-(2-methyl-3-nitrophenoxy)benzoic acid

C14H11NO5 — CID 14920125

IUPAC2-(2-methyl-3-nitrophenoxy)benzoic acid
SMILESCc1c(Oc2ccccc2C(=O)O)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H11NO5/c1-9-11(15(18)19)6-4-8-12(9)20-13-7-3-2-5-10(13)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyUSSCYPBZXMMBCD-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.39
Rot. Bonds4

About 2-(2-methyl-3-nitrophenoxy)benzoic acid

2-(2-methyl-3-nitrophenoxy)benzoic acid (PubChem CID 14920125) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-(2-methyl-3-nitrophenoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-methyl-3-nitrophenoxy)benzoic acid
PubChem CID14920125
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name2-(2-methyl-3-nitrophenoxy)benzoic acid
SMILESCc1c(Oc2ccccc2C(=O)O)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H11NO5/c1-9-11(15(18)19)6-4-8-12(9)20-13-7-3-2-5-10(13)14(16)17/h2-8H,1H3,(H,16,17)
InChIKeyUSSCYPBZXMMBCD-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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 2-(2-methyl-3-nitrophenoxy)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

2-(2-nitrophenoxy)benzoic acid
CID 19922477
4-fluoro-2-(2-methyl-3-nitrophenoxy)benzoic acid
CID 107016511
2-(2-methyl-6-nitrophenoxy)benzoic acid
CID 115554008
2-(2,3-dimethylphenoxy)-3-nitrobenzoic acid
CID 115930683
2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61311075
2-bromo-4-(2-methyl-3-nitrophenoxy)benzoic acid
CID 107282523
2-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 578334
benzene;2-nitrobenzoic acid
CID 19891435
2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 79175885
4-fluoro-2-(2-nitrophenoxy)benzoic acid
CID 107016486
5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid
CID 80632599
1-(3-chloro-2-nitrophenoxy)-2-methyl-3-nitrobenzene
CID 104835380

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-nitrophenoxy)benzoic acid?
The IUPAC name of 2-(2-methyl-3-nitrophenoxy)benzoic acid (CID 14920125) is 2-(2-methyl-3-nitrophenoxy)benzoic acid.
What is the SMILES notation for 2-(2-methyl-3-nitrophenoxy)benzoic acid?
The canonical SMILES for 2-(2-methyl-3-nitrophenoxy)benzoic acid is Cc1c(Oc2ccccc2C(=O)O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-methyl-3-nitrophenoxy)benzoic acid?
The InChIKey is USSCYPBZXMMBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-9-11(15(18)19)6-4-8-12(9)20-13-7-3-2-5-10(13)14(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 2-(2-methyl-3-nitrophenoxy)benzoic acid?
2-(2-methyl-3-nitrophenoxy)benzoic acid has a molecular weight of 273.24 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-nitrophenoxy)benzoic acid is sourced from PubChem (CID 14920125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).