2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid

C9H9NO6 — CID 11770181

IUPAC2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid
SMILESCOc1c([N+](=O)[O-])ccc(O)c1CC(=O)O
InChIInChI=1S/C9H9NO6/c1-16-9-5(4-8(12)13)7(11)3-2-6(9)10(14)15/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyORVFKVYHUKMWKI-UHFFFAOYSA-N
MW227.17 g/mol
LogP0.94
Rot. Bonds4

About 2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid

2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid (PubChem CID 11770181) has the molecular formula C9H9NO6 and a molecular weight of 227.17 g/mol. Its IUPAC name is 2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid.

Molecular Properties

Compound Name2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid
PubChem CID11770181
Molecular FormulaC9H9NO6
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid
SMILESCOc1c([N+](=O)[O-])ccc(O)c1CC(=O)O
InChIInChI=1S/C9H9NO6/c1-16-9-5(4-8(12)13)7(11)3-2-6(9)10(14)15/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyORVFKVYHUKMWKI-UHFFFAOYSA-N
XLogP0.94
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 50.94
H-Bond Donors ≤ 52
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-bromo-2-methoxy-6-nitrophenyl)acetic acid
CID 171007889
potassium 2-methoxy-3-nitrophenol
CID 67083613
3-(3-chloro-2-methoxy-6-nitrophenyl)-2-oxopropanoic acid
CID 21396322
methyl 2-(bromomethyl)-3-methoxy-4-nitrobenzoate
CID 86687927
1-methoxy-2-nitronaphthalene
CID 10899709
3-hydroxy-2-methoxy-4-nitrobenzoic acid
CID 58316178
1-(2,3-dimethoxy-4-nitrophenyl)ethanone
CID 142498394
2-(3,4-dimethoxy-2-nitrophenyl)acetic acid
CID 68912474
2-methoxy-1,3,4-trinitrobenzene
CID 13213780
carboxy-[(2-methoxy-3-nitrophenyl)methyl]carbamic acid
CID 22443001
2-(2-bromo-4-methoxy-6-nitrophenyl)acetic acid
CID 171007604
2-(6-bromo-3-methoxy-2-nitrophenyl)acetic acid
CID 171007936

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid?
The IUPAC name of 2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid (CID 11770181) is 2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid.
What is the SMILES notation for 2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid?
The canonical SMILES for 2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid is COc1c([N+](=O)[O-])ccc(O)c1CC(=O)O.
What is the InChIKey of 2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid?
The InChIKey is ORVFKVYHUKMWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO6/c1-16-9-5(4-8(12)13)7(11)3-2-6(9)10(14)15/h2-3,11H,4H2,1H3,(H,12,13).
What are the key properties of 2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid?
2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid has a molecular weight of 227.17 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid is sourced from PubChem (CID 11770181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).