2-(2-ethoxy-6-nitrophenyl)acetic acid

C10H11NO5 — CID 84689611

IUPAC2-(2-ethoxy-6-nitrophenyl)acetic acid
SMILESCCOc1cccc([N+](=O)[O-])c1CC(=O)O
InChIInChI=1S/C10H11NO5/c1-2-16-9-5-3-4-8(11(14)15)7(9)6-10(12)13/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyANNMQSPBYNULLX-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.62
Rot. Bonds5

About 2-(2-ethoxy-6-nitrophenyl)acetic acid

2-(2-ethoxy-6-nitrophenyl)acetic acid (PubChem CID 84689611) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(2-ethoxy-6-nitrophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-ethoxy-6-nitrophenyl)acetic acid
PubChem CID84689611
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-(2-ethoxy-6-nitrophenyl)acetic acid
SMILESCCOc1cccc([N+](=O)[O-])c1CC(=O)O
InChIInChI=1S/C10H11NO5/c1-2-16-9-5-3-4-8(11(14)15)7(9)6-10(12)13/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyANNMQSPBYNULLX-UHFFFAOYSA-N
XLogP1.62
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.62
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'}

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Related Compounds

3-[(2-ethoxy-6-nitrobenzoyl)amino]propanoic acid
CID 81421028
2-(2-amino-6-nitrophenyl)acetic acid
CID 118992480
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
1-(2-ethoxy-3-nitrophenyl)propan-2-one
CID 118824526
(2-ethoxy-6-nitrophenyl) pentanoate
CID 91273218
bis[2-(iodomethyl)-3-nitrophenyl] carbonate
CID 87786814
2-(3-ethoxy-2-nitrophenyl)acetamide
CID 69300163
carboxy-[(2-ethoxy-3-nitrophenyl)methyl]carbamic acid
CID 18331393
(2-ethoxy-6-nitrophenyl)methyl N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimidate
CID 134548092
2-ethoxy-N-(2-hydroxy-2-methylpropyl)-6-nitrobenzamide
CID 81414197
1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 2283926
2-(ethoxymethyl)-1-methoxy-3-nitrobenzene
CID 122651743

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-6-nitrophenyl)acetic acid?
The IUPAC name of 2-(2-ethoxy-6-nitrophenyl)acetic acid (CID 84689611) is 2-(2-ethoxy-6-nitrophenyl)acetic acid.
What is the SMILES notation for 2-(2-ethoxy-6-nitrophenyl)acetic acid?
The canonical SMILES for 2-(2-ethoxy-6-nitrophenyl)acetic acid is CCOc1cccc([N+](=O)[O-])c1CC(=O)O.
What is the InChIKey of 2-(2-ethoxy-6-nitrophenyl)acetic acid?
The InChIKey is ANNMQSPBYNULLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-2-16-9-5-3-4-8(11(14)15)7(9)6-10(12)13/h3-5H,2,6H2,1H3,(H,12,13).
What are the key properties of 2-(2-ethoxy-6-nitrophenyl)acetic acid?
2-(2-ethoxy-6-nitrophenyl)acetic acid has a molecular weight of 225.20 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-6-nitrophenyl)acetic acid is sourced from PubChem (CID 84689611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).