2-(2-nitrophenoxy)acetic acid

C8H7NO5 — CID 15883

IUPAC2-(2-nitrophenoxy)acetic acid
SMILESO=C(O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H7NO5/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)
InChIKeyTYHHDWAHJRRYCU-UHFFFAOYSA-N
MW197.15 g/mol
LogP1.06
Rot. Bonds4

About 2-(2-nitrophenoxy)acetic acid

2-(2-nitrophenoxy)acetic acid (PubChem CID 15883) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-nitrophenoxy)acetic acid
PubChem CID15883
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Name2-(2-nitrophenoxy)acetic acid
SMILESO=C(O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H7NO5/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)
InChIKeyTYHHDWAHJRRYCU-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

Dinocap
CID 156614068
Acetic acid, 2-nitrophenyl ester
CID 11890
(4-Nitrophenoxy)acetic acid
CID 15720
2-Nitrophenetole
CID 11889
1,2-bis(2-Nitrophenoxy)ethane
CID 394580
2,4-Dinitrophenyl acetate
CID 20224
(3-Nitrophenoxy)acetic acid
CID 74656
2-(2,4-Dinitrophenoxy)ethanol
CID 76070
2-(4-Nitrophenoxy)ethanol
CID 85381
methyl (E)-4-(2-nitrophenoxy)-2-butenoate
CID 5861116
Ethyl 2-(4-nitrophenoxy)acetate
CID 308938
2-Nitrophenyl pentyl ether
CID 231833

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)acetic acid?
The IUPAC name of 2-(2-nitrophenoxy)acetic acid (CID 15883) is 2-(2-nitrophenoxy)acetic acid.
What is the SMILES notation for 2-(2-nitrophenoxy)acetic acid?
The canonical SMILES for 2-(2-nitrophenoxy)acetic acid is O=C(O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenoxy)acetic acid?
The InChIKey is TYHHDWAHJRRYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11).
What are the key properties of 2-(2-nitrophenoxy)acetic acid?
2-(2-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-(2-nitrophenoxy)acetic acid is sourced from PubChem (CID 15883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).