1-ethoxy-3-(2-nitroethenyl)benzene

C10H11NO3 — CID 76912992

IUPAC1-ethoxy-3-(2-nitroethenyl)benzene
SMILESCCOc1cccc(C=C[N+](=O)[O-])c1
InChIInChI=1S/C10H11NO3/c1-2-14-10-5-3-4-9(8-10)6-7-11(12)13/h3-8H,2H2,1H3
InChIKeyZFSQYOZBTZHDME-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.33
Rot. Bonds4

About 1-ethoxy-3-(2-nitroethenyl)benzene

1-ethoxy-3-(2-nitroethenyl)benzene (PubChem CID 76912992) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-ethoxy-3-(2-nitroethenyl)benzene.

Molecular Properties

Compound Name1-ethoxy-3-(2-nitroethenyl)benzene
PubChem CID76912992
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-ethoxy-3-(2-nitroethenyl)benzene
SMILESCCOc1cccc(C=C[N+](=O)[O-])c1
InChIInChI=1S/C10H11NO3/c1-2-14-10-5-3-4-9(8-10)6-7-11(12)13/h3-8H,2H2,1H3
InChIKeyZFSQYOZBTZHDME-UHFFFAOYSA-N
XLogP2.33
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.33
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-(2-nitroethenyl)-3-phenoxybenzene
CID 2732974
1-[[3-(2-nitroethenyl)phenoxy]methyl]naphthalene
CID 887953
2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine
CID 66707738
1-[[3-(2-nitroethenyl)phenoxy]methyl]adamantane
CID 67520596
(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol
CID 11073969
1-ethoxy-3-(2-methylprop-1-enyl)benzene
CID 139695062
1-ethenyl-3-ethoxybenzene
CID 11672687
3-(2-nitroethenyl)benzaldehyde
CID 173163142
1-[(Z)-2-nitroprop-1-enyl]-3-propoxybenzene
CID 21160899
1-[(3-chlorophenyl)methoxy]-2-ethoxy-4-[(E)-2-nitroethenyl]benzene
CID 6035841
1-(2-nitrobut-1-enyl)-3-propoxybenzene
CID 76945194
1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene
CID 11792933

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(2-nitroethenyl)benzene?
The IUPAC name of 1-ethoxy-3-(2-nitroethenyl)benzene (CID 76912992) is 1-ethoxy-3-(2-nitroethenyl)benzene.
What is the SMILES notation for 1-ethoxy-3-(2-nitroethenyl)benzene?
The canonical SMILES for 1-ethoxy-3-(2-nitroethenyl)benzene is CCOc1cccc(C=C[N+](=O)[O-])c1.
What is the InChIKey of 1-ethoxy-3-(2-nitroethenyl)benzene?
The InChIKey is ZFSQYOZBTZHDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-14-10-5-3-4-9(8-10)6-7-11(12)13/h3-8H,2H2,1H3.
What are the key properties of 1-ethoxy-3-(2-nitroethenyl)benzene?
1-ethoxy-3-(2-nitroethenyl)benzene has a molecular weight of 193.20 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(2-nitroethenyl)benzene is sourced from PubChem (CID 76912992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).