2-(2-methoxyethoxy)-5-nitrobenzoic acid

C10H11NO6 — CID 2725637

IUPAC2-(2-methoxyethoxy)-5-nitrobenzoic acid
SMILESCOCCOc1ccc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C10H11NO6/c1-16-4-5-17-9-3-2-7(11(14)15)6-8(9)10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyFQRWHMDLPLNUQW-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.32
Rot. Bonds6

About 2-(2-methoxyethoxy)-5-nitrobenzoic acid

2-(2-methoxyethoxy)-5-nitrobenzoic acid (PubChem CID 2725637) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-5-nitrobenzoic acid.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-5-nitrobenzoic acid
PubChem CID2725637
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Name2-(2-methoxyethoxy)-5-nitrobenzoic acid
SMILESCOCCOc1ccc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C10H11NO6/c1-16-4-5-17-9-3-2-7(11(14)15)6-8(9)10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyFQRWHMDLPLNUQW-UHFFFAOYSA-N
XLogP1.32
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyethoxy)-5-nitrophenyl]ethanone
CID 62872855
2-[2-(2-methoxyethoxy)ethoxy]-4-nitrobenzoic acid
CID 104560476
1-[2-(3-methoxypropoxy)-5-nitrophenyl]ethanone
CID 62873760
1,2-bis(2-methoxyethoxy)-4-nitrobenzene;carbamic acid
CID 175523332
2-(3-methylsulfonylpropoxy)-5-nitrobenzoic acid
CID 63191832
2-(3-cyanopropoxy)-5-nitrobenzoic acid
CID 43472847
2-methoxy-5-nitrobenzoic acid;zinc
CID 67791241
2-(2,2-dimethylpropoxy)-5-nitrobenzoic acid
CID 139678174
5-nitro-2-(2-propylsulfonylethoxy)benzoic acid
CID 106725203
2-acetyloxy-5-nitrobenzoic acid
CID 5211294
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-nitrobenzoic acid
CID 43472834
4,5-bis(2-methoxyethoxy)-2-nitrobenzoic acid
CID 23107612

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-5-nitrobenzoic acid?
The IUPAC name of 2-(2-methoxyethoxy)-5-nitrobenzoic acid (CID 2725637) is 2-(2-methoxyethoxy)-5-nitrobenzoic acid.
What is the SMILES notation for 2-(2-methoxyethoxy)-5-nitrobenzoic acid?
The canonical SMILES for 2-(2-methoxyethoxy)-5-nitrobenzoic acid is COCCOc1ccc([N+](=O)[O-])cc1C(=O)O.
What is the InChIKey of 2-(2-methoxyethoxy)-5-nitrobenzoic acid?
The InChIKey is FQRWHMDLPLNUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6/c1-16-4-5-17-9-3-2-7(11(14)15)6-8(9)10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-(2-methoxyethoxy)-5-nitrobenzoic acid?
2-(2-methoxyethoxy)-5-nitrobenzoic acid has a molecular weight of 241.20 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-5-nitrobenzoic acid is sourced from PubChem (CID 2725637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).