3-methoxy-1-(2-nitroethenyl)naphthalene

C13H11NO3 — CID 135381264

IUPAC3-methoxy-1-(2-nitroethenyl)naphthalene
SMILESCOc1cc(C=C[N+](=O)[O-])c2ccccc2c1
InChIInChI=1S/C13H11NO3/c1-17-12-8-10-4-2-3-5-13(10)11(9-12)6-7-14(15)16/h2-9H,1H3
InChIKeyJLEXTNHKFNVKNS-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.10
Rot. Bonds3

About 3-methoxy-1-(2-nitroethenyl)naphthalene

3-methoxy-1-(2-nitroethenyl)naphthalene (PubChem CID 135381264) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-methoxy-1-(2-nitroethenyl)naphthalene.

Molecular Properties

Compound Name3-methoxy-1-(2-nitroethenyl)naphthalene
PubChem CID135381264
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name3-methoxy-1-(2-nitroethenyl)naphthalene
SMILESCOc1cc(C=C[N+](=O)[O-])c2ccccc2c1
InChIInChI=1S/C13H11NO3/c1-17-12-8-10-4-2-3-5-13(10)11(9-12)6-7-14(15)16/h2-9H,1H3
InChIKeyJLEXTNHKFNVKNS-UHFFFAOYSA-N
XLogP3.10
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-methoxy-2-(2-nitroethenyl)naphthalene
CID 171137628
2-bromo-4-methoxy-1-[(E)-2-nitroethenyl]benzene
CID 130534287
1,2-bis(2-nitroethenyl)benzene
CID 154283712
1-bromo-2-[(E)-2-nitroethenyl]naphthalene
CID 135381885
3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene
CID 138737035
2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene
CID 15128232
7-methoxy-1-[(E)-2-nitroethenyl]-2-phenylmethoxynaphthalene
CID 10688195
4,5-dimethoxy-2-[(E)-2-nitroethenyl]benzaldehyde
CID 134890164
1,2-dimethoxy-3-methyl-4-(2-nitroethenyl)benzene
CID 131885427
4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene
CID 92527994
2-ethoxy-1-methoxy-3-[(Z)-2-nitroethenyl]benzene
CID 2060851
2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene
CID 896112

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-nitroethenyl)naphthalene?
The IUPAC name of 3-methoxy-1-(2-nitroethenyl)naphthalene (CID 135381264) is 3-methoxy-1-(2-nitroethenyl)naphthalene.
What is the SMILES notation for 3-methoxy-1-(2-nitroethenyl)naphthalene?
The canonical SMILES for 3-methoxy-1-(2-nitroethenyl)naphthalene is COc1cc(C=C[N+](=O)[O-])c2ccccc2c1.
What is the InChIKey of 3-methoxy-1-(2-nitroethenyl)naphthalene?
The InChIKey is JLEXTNHKFNVKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-12-8-10-4-2-3-5-13(10)11(9-12)6-7-14(15)16/h2-9H,1H3.
What are the key properties of 3-methoxy-1-(2-nitroethenyl)naphthalene?
3-methoxy-1-(2-nitroethenyl)naphthalene has a molecular weight of 229.24 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-nitroethenyl)naphthalene is sourced from PubChem (CID 135381264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).