1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene

C15H15NO2 — CID 23565474

IUPAC1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene
SMILESCc1cc([N+](=O)[O-])ccc1-c1c(C)cccc1C
InChIInChI=1S/C15H15NO2/c1-10-5-4-6-11(2)15(10)14-8-7-13(16(17)18)9-12(14)3/h4-9H,1-3H3
InChIKeyJEBRONXCVMCDLZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP4.19
Rot. Bonds2

About 1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene

1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene (PubChem CID 23565474) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene.

Molecular Properties

Compound Name1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene
PubChem CID23565474
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene
SMILESCc1cc([N+](=O)[O-])ccc1-c1c(C)cccc1C
InChIInChI=1S/C15H15NO2/c1-10-5-4-6-11(2)15(10)14-8-7-13(16(17)18)9-12(14)3/h4-9H,1-3H3
InChIKeyJEBRONXCVMCDLZ-UHFFFAOYSA-N
XLogP4.19
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 54.19
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'}

Analyze 1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methyl-2-(2-methyl-4-nitrophenyl)quinoline
CID 624082
2-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 154684688
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
CID 57438279
1-methyl-2,4-dinitrobenzene;1,2-xylene
CID 88735463
4-methyl-3-(2-methyl-4-nitrophenyl)benzonitrile
CID 70273781
1,3-dimethoxy-2-(2-methyl-5-nitrophenyl)benzene
CID 173253076
4-fluoro-2-methyl-1-(3-nitrophenyl)benzene
CID 57155248
1-methyl-3-nitrobenzene
CID 7422
4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole
CID 115395412
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887
N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine
CID 66479824

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene?
The IUPAC name of 1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene (CID 23565474) is 1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene.
What is the SMILES notation for 1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene?
The canonical SMILES for 1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene is Cc1cc([N+](=O)[O-])ccc1-c1c(C)cccc1C.
What is the InChIKey of 1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene?
The InChIKey is JEBRONXCVMCDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-5-4-6-11(2)15(10)14-8-7-13(16(17)18)9-12(14)3/h4-9H,1-3H3.
What are the key properties of 1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene?
1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene has a molecular weight of 241.29 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene is sourced from PubChem (CID 23565474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).