(3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone

C15H13NO3 — CID 11391183

IUPAC(3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C15H13NO3/c1-10-5-3-4-6-13(10)15(17)12-7-8-14(16(18)19)11(2)9-12/h3-9H,1-2H3
InChIKeyAEOFYTIHHDKKBQ-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.44
Rot. Bonds3

About (3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone

(3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone (PubChem CID 11391183) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone
PubChem CID11391183
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C15H13NO3/c1-10-5-3-4-6-13(10)15(17)12-7-8-14(16(18)19)11(2)9-12/h3-9H,1-2H3
InChIKeyAEOFYTIHHDKKBQ-UHFFFAOYSA-N
XLogP3.44
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.44
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-methylindol-3-yl)-(3-methyl-4-nitrophenyl)methanone
CID 163878841
(2,4-dimethylphenyl)-(4-methyl-3-nitrophenyl)methanone
CID 886134
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
(4-hydroxy-3-methoxy-5-nitrophenyl)-(2-methylphenyl)methanone
CID 21458993
[4-(3-methyl-4-nitrobenzoyl)phenyl] methanesulfonate
CID 23131635
2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone
CID 60973116
bis(4-methyl-3-nitrophenyl)methanone
CID 2259929
N-[2-(tert-butylcarbamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 17256604
3-methyl-4-nitro-N-phenylbenzohydrazide
CID 54532028
4-(2-methylbenzoyl)phthalic acid
CID 22362607
3-methyl-4-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 1251637
methanesulfonic acid;3-methyl-4-nitrobenzoic acid
CID 159529273

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone?
The IUPAC name of (3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone (CID 11391183) is (3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone.
What is the SMILES notation for (3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone?
The canonical SMILES for (3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of (3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone?
The InChIKey is AEOFYTIHHDKKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-5-3-4-6-13(10)15(17)12-7-8-14(16(18)19)11(2)9-12/h3-9H,1-2H3.
What are the key properties of (3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone?
(3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone has a molecular weight of 255.27 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone is sourced from PubChem (CID 11391183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).