2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene

C11H13NO4 — CID 896112

IUPAC2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene
SMILESCCOc1c(/C=C/[N+](=O)[O-])cccc1OC
InChIInChI=1S/C11H13NO4/c1-3-16-11-9(7-8-12(13)14)5-4-6-10(11)15-2/h4-8H,3H2,1-2H3/b8-7+
InChIKeyIPURVYVDFUARIT-BQYQJAHWSA-N
MW223.23 g/mol
LogP2.34
Rot. Bonds5

About 2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene

2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene (PubChem CID 896112) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene
PubChem CID896112
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene
SMILESCCOc1c(/C=C/[N+](=O)[O-])cccc1OC
InChIInChI=1S/C11H13NO4/c1-3-16-11-9(7-8-12(13)14)5-4-6-10(11)15-2/h4-8H,3H2,1-2H3/b8-7+
InChIKeyIPURVYVDFUARIT-BQYQJAHWSA-N
XLogP2.34
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
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-ethoxy-1-methoxy-3-[(Z)-2-nitroethenyl]benzene
CID 2060851
2-[2-ethoxy-6-[(Z)-2-nitroethenyl]phenoxy]acetate
CID 7476954
1-ethoxy-3-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 71624359
2-ethoxy-6-(2-nitroethenyl)phenol
CID 2758749
[2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate
CID 131862758
(E)-3-(2-ethoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 82041550
1-ethenyl-2-ethoxy-3-methoxybenzene
CID 11629687
2-[(E)-2-(2-ethoxy-3-methoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
CID 6297936
1-bromo-5-ethoxy-4-methoxy-2-[(E)-2-nitroethenyl]benzene
CID 6182368
1,2-dimethoxy-3-methyl-4-(2-nitroethenyl)benzene
CID 131885427
(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991
1-ethoxy-2,3-dimethoxy-5-(2-nitroethenyl)benzene
CID 86250366

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene?
The IUPAC name of 2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene (CID 896112) is 2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene.
What is the SMILES notation for 2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene?
The canonical SMILES for 2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene is CCOc1c(/C=C/[N+](=O)[O-])cccc1OC.
What is the InChIKey of 2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene?
The InChIKey is IPURVYVDFUARIT-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H13NO4/c1-3-16-11-9(7-8-12(13)14)5-4-6-10(11)15-2/h4-8H,3H2,1-2H3/b8-7+.
What are the key properties of 2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene?
2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene has a molecular weight of 223.23 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 896112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).