1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene

C10H13NO4 — CID 134935295

IUPAC1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene
SMILESCOc1cc([N+](=O)[O-])c(C)c(C)c1OC
InChIInChI=1S/C10H13NO4/c1-6-7(2)10(15-4)9(14-3)5-8(6)11(12)13/h5H,1-4H3
InChIKeyZPGWXFMBEKELQQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.23
Rot. Bonds3

About 1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene

1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene (PubChem CID 134935295) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene.

Molecular Properties

Compound Name1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene
PubChem CID134935295
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene
SMILESCOc1cc([N+](=O)[O-])c(C)c(C)c1OC
InChIInChI=1S/C10H13NO4/c1-6-7(2)10(15-4)9(14-3)5-8(6)11(12)13/h5H,1-4H3
InChIKeyZPGWXFMBEKELQQ-UHFFFAOYSA-N
XLogP2.23
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene?
The IUPAC name of 1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene (CID 134935295) is 1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene.
What is the SMILES notation for 1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene?
The canonical SMILES for 1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene is COc1cc([N+](=O)[O-])c(C)c(C)c1OC.
What is the InChIKey of 1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene?
The InChIKey is ZPGWXFMBEKELQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-6-7(2)10(15-4)9(14-3)5-8(6)11(12)13/h5H,1-4H3.
What are the key properties of 1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene?
1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene has a molecular weight of 211.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3,4-dimethyl-5-nitrobenzene is sourced from PubChem (CID 134935295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).