1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene

C16H15NO2 — CID 21440630

IUPAC1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene
SMILESCc1ccccc1C(=C[N+](=O)[O-])c1ccccc1C
InChIInChI=1S/C16H15NO2/c1-12-7-3-5-9-14(12)16(11-17(18)19)15-10-6-4-8-13(15)2/h3-11H,1-2H3
InChIKeySCPJJRSSHFIPON-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.97
Rot. Bonds3

About 1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene

1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene (PubChem CID 21440630) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene
PubChem CID21440630
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene
SMILESCc1ccccc1C(=C[N+](=O)[O-])c1ccccc1C
InChIInChI=1S/C16H15NO2/c1-12-7-3-5-9-14(12)16(11-17(18)19)15-10-6-4-8-13(15)2/h3-11H,1-2H3
InChIKeySCPJJRSSHFIPON-UHFFFAOYSA-N
XLogP3.97
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.97
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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Related Compounds

ethyl (Z)-2-(2-methylphenyl)-3-nitroprop-2-enoate
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1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene
CID 132608056
1-[(E)-1-chloro-2-nitroethenyl]-2-methoxybenzene
CID 154718283
2-methylphenol;nitromethane
CID 91443337
CID 88514850
CID 88514850
1-fluoro-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 134890505
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide
CID 46520515
2-(2-methylphenyl)-3-(2-nitrophenyl)prop-2-enoic acid
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CID 90922065

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene?
The IUPAC name of 1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene (CID 21440630) is 1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene.
What is the SMILES notation for 1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene?
The canonical SMILES for 1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene is Cc1ccccc1C(=C[N+](=O)[O-])c1ccccc1C.
What is the InChIKey of 1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene?
The InChIKey is SCPJJRSSHFIPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-7-3-5-9-14(12)16(11-17(18)19)15-10-6-4-8-13(15)2/h3-11H,1-2H3.
What are the key properties of 1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene?
1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene has a molecular weight of 253.30 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-(2-methylphenyl)-2-nitroethenyl]benzene is sourced from PubChem (CID 21440630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).