2-(4-nitrophenoxy)acetic acid

C8H7NO5 — CID 15720

IUPAC2-(4-nitrophenoxy)acetic acid
SMILESO=C(O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7NO5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)
InChIKeyAVDLFIONKHGQAP-UHFFFAOYSA-N
MW197.15 g/mol
LogP1.06
Rot. Bonds4

About 2-(4-nitrophenoxy)acetic acid

2-(4-nitrophenoxy)acetic acid (PubChem CID 15720) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-nitrophenoxy)acetic acid
PubChem CID15720
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Name2-(4-nitrophenoxy)acetic acid
SMILESO=C(O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7NO5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)
InChIKeyAVDLFIONKHGQAP-UHFFFAOYSA-N
XLogP1.06
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 51.06
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

2-((4-Nitrophenoxy)methyl)oxirane
CID 21327
4-Nitrophenetol
CID 7495
4-Nitrophenyl Acetate
CID 13243
4-Nitrophenyl butyrate
CID 75834
4-Nitrophenyl hexanoate
CID 567162
(3-Nitrophenoxy)acetic acid
CID 74656
4-Nitrophenyl 2,2-dimethylpropanoate
CID 77859
4-Nitrophenyl chloroacetate
CID 94917
Acetic acid, 2-bromo-, 4-nitrophenyl ester
CID 100667
1,3-Bis(4-nitrophenoxy)propane
CID 256293
1,2-Bis(4-nitrophenoxy)ethane
CID 270647
4-Nitrophenyl formate
CID 74628

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)acetic acid?
The IUPAC name of 2-(4-nitrophenoxy)acetic acid (CID 15720) is 2-(4-nitrophenoxy)acetic acid.
What is the SMILES notation for 2-(4-nitrophenoxy)acetic acid?
The canonical SMILES for 2-(4-nitrophenoxy)acetic acid is O=C(O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenoxy)acetic acid?
The InChIKey is AVDLFIONKHGQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11).
What are the key properties of 2-(4-nitrophenoxy)acetic acid?
2-(4-nitrophenoxy)acetic acid has a molecular weight of 197.15 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)acetic acid is sourced from PubChem (CID 15720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).