1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene

C16H15NO3 — CID 76948521

IUPAC1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene
SMILESCCOc1ccc(C=C(c2ccccc2)[N+](=O)[O-])cc1
InChIInChI=1S/C16H15NO3/c1-2-20-15-10-8-13(9-11-15)12-16(17(18)19)14-6-4-3-5-7-14/h3-12H,2H2,1H3
InChIKeyUEDOQCRQCWHHFW-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.86
Rot. Bonds5

About 1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene

1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene (PubChem CID 76948521) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene.

Molecular Properties

Compound Name1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene
PubChem CID76948521
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene
SMILESCCOc1ccc(C=C(c2ccccc2)[N+](=O)[O-])cc1
InChIInChI=1S/C16H15NO3/c1-2-20-15-10-8-13(9-11-15)12-16(17(18)19)14-6-4-3-5-7-14/h3-12H,2H2,1H3
InChIKeyUEDOQCRQCWHHFW-UHFFFAOYSA-N
XLogP3.86
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.86
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-nitro-2-phenylethenyl]benzene
CID 2818500
4-(2-nitro-2-phenylethenyl)aniline
CID 54368133
1-tert-butyl-4-(2-nitro-2-phenylethenyl)benzene
CID 76996214
2-methyl-5-[(E)-2-nitro-2-phenylethenyl]pyridine
CID 104823179
4-(2-nitro-2-phenylethenyl)benzene-1,2-diol
CID 76948542
3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid
CID 54032507
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
benzamide;1,4-diethoxybenzene
CID 162120306
N-[1-(4-ethoxyphenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3704032
3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid
CID 79726253
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
1-butoxy-4-[(Z)-2-nitrobut-1-enyl]benzene
CID 55016500

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene?
The IUPAC name of 1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene (CID 76948521) is 1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene.
What is the SMILES notation for 1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene?
The canonical SMILES for 1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene is CCOc1ccc(C=C(c2ccccc2)[N+](=O)[O-])cc1.
What is the InChIKey of 1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene?
The InChIKey is UEDOQCRQCWHHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-20-15-10-8-13(9-11-15)12-16(17(18)19)14-6-4-3-5-7-14/h3-12H,2H2,1H3.
What are the key properties of 1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene?
1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene has a molecular weight of 269.30 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(2-nitro-2-phenylethenyl)benzene is sourced from PubChem (CID 76948521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).