1-methyl-2,4-dinitrobenzene;1,2-xylene

C15H16N2O4 — CID 88735463

IUPAC1-methyl-2,4-dinitrobenzene;1,2-xylene
SMILESCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].Cc1ccccc1C
InChIInChI=1S/C8H10.C7H6N2O4/c1-7-5-3-4-6-8(7)2;1-5-2-3-6(8(10)11)4-7(5)9(12)13/h3-6H,1-2H3;2-4H,1H3
InChIKeySEGFLPLCVNWDPP-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.11
Rot. Bonds2

About 1-methyl-2,4-dinitrobenzene;1,2-xylene

1-methyl-2,4-dinitrobenzene;1,2-xylene (PubChem CID 88735463) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-methyl-2,4-dinitrobenzene;1,2-xylene.

Molecular Properties

Compound Name1-methyl-2,4-dinitrobenzene;1,2-xylene
PubChem CID88735463
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-methyl-2,4-dinitrobenzene;1,2-xylene
SMILESCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].Cc1ccccc1C
InChIInChI=1S/C8H10.C7H6N2O4/c1-7-5-3-4-6-8(7)2;1-5-2-3-6(8(10)11)4-7(5)9(12)13/h3-6H,1-2H3;2-4H,1H3
InChIKeySEGFLPLCVNWDPP-UHFFFAOYSA-N
XLogP4.11
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
1-methyl-2-nitro-4-phenylbenzene
CID 12909826
4-(2,4-dinitrophenyl)sulfanyl-1-methyl-2-nitrobenzene
CID 57359203
1,4-dimethyl-2-nitrobenzene
CID 20849377
1-methyl-2-(2-methylphenoxy)-4-nitrobenzene
CID 141213326
4-methyl-N-(2-methyl-5-nitrophenyl)-3-nitroaniline
CID 170118098
2-methyl-N-(4-methyl-3-nitrophenyl)-5-nitrobenzenesulfonamide
CID 2796554
N-[(2,4-dinitrophenyl)methyl]-2-methylaniline
CID 66221993
5-bromo-2-methylpyridin-1-ium-1-amine;1-methyl-2,4-dinitrobenzene
CID 159852503
4-(4-methyl-3-nitrophenyl)benzene-1,2-diamine
CID 154095344
4-methyl-3-nitrophenol
CID 16271
1-methyl-2-[2-(2-methyl-5-nitrophenyl)ethyl]-3-nitrobenzene
CID 591404

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-dinitrobenzene;1,2-xylene?
The IUPAC name of 1-methyl-2,4-dinitrobenzene;1,2-xylene (CID 88735463) is 1-methyl-2,4-dinitrobenzene;1,2-xylene.
What is the SMILES notation for 1-methyl-2,4-dinitrobenzene;1,2-xylene?
The canonical SMILES for 1-methyl-2,4-dinitrobenzene;1,2-xylene is Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].Cc1ccccc1C.
What is the InChIKey of 1-methyl-2,4-dinitrobenzene;1,2-xylene?
The InChIKey is SEGFLPLCVNWDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H6N2O4/c1-7-5-3-4-6-8(7)2;1-5-2-3-6(8(10)11)4-7(5)9(12)13/h3-6H,1-2H3;2-4H,1H3.
What are the key properties of 1-methyl-2,4-dinitrobenzene;1,2-xylene?
1-methyl-2,4-dinitrobenzene;1,2-xylene has a molecular weight of 288.30 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dinitrobenzene;1,2-xylene is sourced from PubChem (CID 88735463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).