1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene

C11H15NO3 — CID 20644944

IUPAC1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene
SMILESCOc1c(C)c(C)c(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C11H15NO3/c1-6-7(2)10(12(13)14)9(4)11(15-5)8(6)3/h1-5H3
InChIKeyVYNPGVZUQITNIB-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.84
Rot. Bonds2

About 1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene

1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene (PubChem CID 20644944) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene.

Molecular Properties

Compound Name1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene
PubChem CID20644944
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene
SMILESCOc1c(C)c(C)c(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C11H15NO3/c1-6-7(2)10(12(13)14)9(4)11(15-5)8(6)3/h1-5H3
InChIKeyVYNPGVZUQITNIB-UHFFFAOYSA-N
XLogP2.84
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1,2,3-trimethoxy-4,5,6-trinitrobenzene
CID 15386969
5-bromo-2-methoxy-3,4-dimethyl-6-nitroaniline
CID 23258551
3,5-dimethoxy-2,4,6-trinitrophenol
CID 87251966
1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene
CID 4261372
1,3-difluoro-5-methoxy-2,4,6-trinitrobenzene
CID 156781036
2-methoxy-1,3,4-trimethyl-5-nitrobenzene
CID 22408512
1,5-dichloro-2-methoxy-3,4-dinitrobenzene
CID 154201735
1,2,4-trichloro-3,6-dimethoxy-5-nitrobenzene
CID 625283
1-(chloromethyl)-2,3,4,6-tetramethyl-5-nitrobenzene
CID 15211999
2-methoxy-1,3,4-trinitrobenzene
CID 13213780
1-bromo-3,4-dimethoxy-2-nitrobenzene
CID 66522885
4-methoxy-2,5-dimethyl-3-nitropyridine
CID 131848990

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene?
The IUPAC name of 1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene (CID 20644944) is 1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene.
What is the SMILES notation for 1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene?
The canonical SMILES for 1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene is COc1c(C)c(C)c(C)c([N+](=O)[O-])c1C.
What is the InChIKey of 1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene?
The InChIKey is VYNPGVZUQITNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-6-7(2)10(12(13)14)9(4)11(15-5)8(6)3/h1-5H3.
What are the key properties of 1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene?
1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene has a molecular weight of 209.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3,4,6-tetramethyl-5-nitrobenzene is sourced from PubChem (CID 20644944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).