2-methoxy-4-[(E)-2-nitroethenyl]phenol

C9H9NO4 — CID 638439

IUPAC2-methoxy-4-[(E)-2-nitroethenyl]phenol
SMILESCOc1cc(/C=C/[N+](=O)[O-])ccc1O
InChIInChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+
InChIKeyXVXCSPJSXIUNQJ-SNAWJCMRSA-N
MW195.17 g/mol
LogP1.65
Rot. Bonds3

About 2-methoxy-4-[(E)-2-nitroethenyl]phenol

2-methoxy-4-[(E)-2-nitroethenyl]phenol (PubChem CID 638439) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-2-nitroethenyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-2-nitroethenyl]phenol
PubChem CID638439
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-methoxy-4-[(E)-2-nitroethenyl]phenol
SMILESCOc1cc(/C=C/[N+](=O)[O-])ccc1O
InChIInChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+
InChIKeyXVXCSPJSXIUNQJ-SNAWJCMRSA-N
XLogP1.65
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-2-nitroethenyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-2-nitroethenyl]phenol (CID 638439) is 2-methoxy-4-[(E)-2-nitroethenyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-2-nitroethenyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-2-nitroethenyl]phenol is COc1cc(/C=C/[N+](=O)[O-])ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-2-nitroethenyl]phenol?
The InChIKey is XVXCSPJSXIUNQJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+.
What are the key properties of 2-methoxy-4-[(E)-2-nitroethenyl]phenol?
2-methoxy-4-[(E)-2-nitroethenyl]phenol has a molecular weight of 195.17 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-2-nitroethenyl]phenol is sourced from PubChem (CID 638439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).