1,2,3,5-tetramethyl-4-(nitromethyl)benzene

C11H15NO2 — CID 14923642

IUPAC1,2,3,5-tetramethyl-4-(nitromethyl)benzene
SMILESCc1cc(C)c(C[N+](=O)[O-])c(C)c1C
InChIInChI=1S/C11H15NO2/c1-7-5-8(2)11(6-12(13)14)10(4)9(7)3/h5H,6H2,1-4H3
InChIKeyKYUXSZPDDUEDEX-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.70
Rot. Bonds2

About 1,2,3,5-tetramethyl-4-(nitromethyl)benzene

1,2,3,5-tetramethyl-4-(nitromethyl)benzene (PubChem CID 14923642) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1,2,3,5-tetramethyl-4-(nitromethyl)benzene.

Molecular Properties

Compound Name1,2,3,5-tetramethyl-4-(nitromethyl)benzene
PubChem CID14923642
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1,2,3,5-tetramethyl-4-(nitromethyl)benzene
SMILESCc1cc(C)c(C[N+](=O)[O-])c(C)c1C
InChIInChI=1S/C11H15NO2/c1-7-5-8(2)11(6-12(13)14)10(4)9(7)3/h5H,6H2,1-4H3
InChIKeyKYUXSZPDDUEDEX-UHFFFAOYSA-N
XLogP2.70
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethyl-4-(nitromethyl)benzene?
The IUPAC name of 1,2,3,5-tetramethyl-4-(nitromethyl)benzene (CID 14923642) is 1,2,3,5-tetramethyl-4-(nitromethyl)benzene.
What is the SMILES notation for 1,2,3,5-tetramethyl-4-(nitromethyl)benzene?
The canonical SMILES for 1,2,3,5-tetramethyl-4-(nitromethyl)benzene is Cc1cc(C)c(C[N+](=O)[O-])c(C)c1C.
What is the InChIKey of 1,2,3,5-tetramethyl-4-(nitromethyl)benzene?
The InChIKey is KYUXSZPDDUEDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-5-8(2)11(6-12(13)14)10(4)9(7)3/h5H,6H2,1-4H3.
What are the key properties of 1,2,3,5-tetramethyl-4-(nitromethyl)benzene?
1,2,3,5-tetramethyl-4-(nitromethyl)benzene has a molecular weight of 193.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethyl-4-(nitromethyl)benzene is sourced from PubChem (CID 14923642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).