1-methyl-2-(2-nitroethenyl)-3-phenylbenzene

C15H13NO2 — CID 70052693

IUPAC1-methyl-2-(2-nitroethenyl)-3-phenylbenzene
SMILESCc1cccc(-c2ccccc2)c1C=C[N+](=O)[O-]
InChIInChI=1S/C15H13NO2/c1-12-6-5-9-15(13-7-3-2-4-8-13)14(12)10-11-16(17)18/h2-11H,1H3
InChIKeyGWWKTLZRKXPLQQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.91
Rot. Bonds3

About 1-methyl-2-(2-nitroethenyl)-3-phenylbenzene

1-methyl-2-(2-nitroethenyl)-3-phenylbenzene (PubChem CID 70052693) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-methyl-2-(2-nitroethenyl)-3-phenylbenzene.

Molecular Properties

Compound Name1-methyl-2-(2-nitroethenyl)-3-phenylbenzene
PubChem CID70052693
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1-methyl-2-(2-nitroethenyl)-3-phenylbenzene
SMILESCc1cccc(-c2ccccc2)c1C=C[N+](=O)[O-]
InChIInChI=1S/C15H13NO2/c1-12-6-5-9-15(13-7-3-2-4-8-13)14(12)10-11-16(17)18/h2-11H,1H3
InChIKeyGWWKTLZRKXPLQQ-UHFFFAOYSA-N
XLogP3.91
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-methyl-2-(2-nitroethenyl)-3-phenylbenzene?
The IUPAC name of 1-methyl-2-(2-nitroethenyl)-3-phenylbenzene (CID 70052693) is 1-methyl-2-(2-nitroethenyl)-3-phenylbenzene.
What is the SMILES notation for 1-methyl-2-(2-nitroethenyl)-3-phenylbenzene?
The canonical SMILES for 1-methyl-2-(2-nitroethenyl)-3-phenylbenzene is Cc1cccc(-c2ccccc2)c1C=C[N+](=O)[O-].
What is the InChIKey of 1-methyl-2-(2-nitroethenyl)-3-phenylbenzene?
The InChIKey is GWWKTLZRKXPLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-12-6-5-9-15(13-7-3-2-4-8-13)14(12)10-11-16(17)18/h2-11H,1H3.
What are the key properties of 1-methyl-2-(2-nitroethenyl)-3-phenylbenzene?
1-methyl-2-(2-nitroethenyl)-3-phenylbenzene has a molecular weight of 239.27 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-nitroethenyl)-3-phenylbenzene is sourced from PubChem (CID 70052693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).