2-(5-methoxy-2-nitrophenoxy)acetic acid

C9H9NO6 — CID 91683018

IUPAC2-(5-methoxy-2-nitrophenoxy)acetic acid
SMILESCOc1ccc([N+](=O)[O-])c(OCC(=O)O)c1
InChIInChI=1S/C9H9NO6/c1-15-6-2-3-7(10(13)14)8(4-6)16-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyQQBCMIBYDFMFQA-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.07
Rot. Bonds5

About 2-(5-methoxy-2-nitrophenoxy)acetic acid

2-(5-methoxy-2-nitrophenoxy)acetic acid (PubChem CID 91683018) has the molecular formula C9H9NO6 and a molecular weight of 227.17 g/mol. Its IUPAC name is 2-(5-methoxy-2-nitrophenoxy)acetic acid.

Molecular Properties

Compound Name2-(5-methoxy-2-nitrophenoxy)acetic acid
PubChem CID91683018
Molecular FormulaC9H9NO6
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name2-(5-methoxy-2-nitrophenoxy)acetic acid
SMILESCOc1ccc([N+](=O)[O-])c(OCC(=O)O)c1
InChIInChI=1S/C9H9NO6/c1-15-6-2-3-7(10(13)14)8(4-6)16-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyQQBCMIBYDFMFQA-UHFFFAOYSA-N
XLogP1.07
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.07
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

2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
3-(5-methoxy-2-nitrophenoxy)propanoic acid
CID 102702530
4-(5-methoxy-2-nitrophenoxy)butanoic acid
CID 102702553
1-(2,4-dimethoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885361
2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene
CID 102702616
2-(3,4-dinitrophenoxy)acetic acid
CID 14373082
4-methoxy-1-nitro-2-prop-2-ynoxybenzene
CID 102703166
ethane;4-methoxy-1-nitro-2-prop-2-enoxybenzene
CID 143133344
2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene
CID 140975291
2-(2-fluoro-5-methoxyphenoxy)acetic acid
CID 84669223
4-(5-methoxy-2-nitrophenoxy)butanehydrazide
CID 102703730
3-(5-methoxy-2-nitrophenoxy)-2-(propylamino)propanoic acid
CID 102703592

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-nitrophenoxy)acetic acid?
The IUPAC name of 2-(5-methoxy-2-nitrophenoxy)acetic acid (CID 91683018) is 2-(5-methoxy-2-nitrophenoxy)acetic acid.
What is the SMILES notation for 2-(5-methoxy-2-nitrophenoxy)acetic acid?
The canonical SMILES for 2-(5-methoxy-2-nitrophenoxy)acetic acid is COc1ccc([N+](=O)[O-])c(OCC(=O)O)c1.
What is the InChIKey of 2-(5-methoxy-2-nitrophenoxy)acetic acid?
The InChIKey is QQBCMIBYDFMFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO6/c1-15-6-2-3-7(10(13)14)8(4-6)16-5-9(11)12/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 2-(5-methoxy-2-nitrophenoxy)acetic acid?
2-(5-methoxy-2-nitrophenoxy)acetic acid has a molecular weight of 227.17 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-nitrophenoxy)acetic acid is sourced from PubChem (CID 91683018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).