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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Related Compounds

CID 458433
CID 458433
CID 12141203
CID 12141203
CID 44426079
CID 44426079
CID 145951653
CID 145951653
CID 21349
CID 21349
CID 23618
CID 23618
CID 226079
CID 226079
CID 14119213
CID 14119213
CID 137661252
CID 137661252
CID 3605709
CID 3605709
CID 10986858
CID 10986858
CID 11355676
CID 11355676

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).