2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid

C15H13NO6 — CID 134869553

IUPAC2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid
SMILESCOc1ccccc1Oc1ccc([N+](=O)[O-])cc1CC(=O)O
InChIInChI=1S/C15H13NO6/c1-21-13-4-2-3-5-14(13)22-12-7-6-11(16(19)20)8-10(12)9-15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyCCGWTFOQJUSJFF-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.02
Rot. Bonds6

About 2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid

2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid (PubChem CID 134869553) has the molecular formula C15H13NO6 and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid
PubChem CID134869553
Molecular FormulaC15H13NO6
Molecular Weight303.27 g/mol
Exact Mass303.07
IUPAC Name2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid
SMILESCOc1ccccc1Oc1ccc([N+](=O)[O-])cc1CC(=O)O
InChIInChI=1S/C15H13NO6/c1-21-13-4-2-3-5-14(13)22-12-7-6-11(16(19)20)8-10(12)9-15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyCCGWTFOQJUSJFF-UHFFFAOYSA-N
XLogP3.02
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.02
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

1-(2-methoxy-5-nitrophenyl)-3-phenylpropan-2-one
CID 158664219
2-(2-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113890
3-(5-nitro-2-phenoxyphenyl)-2-oxopropanoic acid
CID 134869534
methyl 3-(2-methoxy-5-nitrophenyl)-2-oxopropanoate
CID 18370815
(1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol
CID 78938858
ethyl 3-(2-methoxy-5-nitrophenyl)-2-oxopropanoate
CID 18370237
3-(2-methoxy-5-nitrophenyl)-2,2-dimethylpropanoic acid
CID 62740765
[2-(2-fluorophenoxy)-5-nitrophenyl]methanol
CID 28964127
3-(2-methoxy-4-nitrophenyl)propanoic acid
CID 163661297
2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone
CID 61079159
2-[(2-methoxy-5-nitrophenyl)methylcarbamoylamino]acetic acid
CID 43247127
[2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110298

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid?
The IUPAC name of 2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid (CID 134869553) is 2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid is COc1ccccc1Oc1ccc([N+](=O)[O-])cc1CC(=O)O.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid?
The InChIKey is CCGWTFOQJUSJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO6/c1-21-13-4-2-3-5-14(13)22-12-7-6-11(16(19)20)8-10(12)9-15(17)18/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid?
2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid has a molecular weight of 303.27 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid is sourced from PubChem (CID 134869553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).