ethane;4-methoxy-2-methyl-1-nitrobenzene

C10H15NO3 — CID 142240098

IUPACethane;4-methoxy-2-methyl-1-nitrobenzene
SMILESCC.COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C8H9NO3.C2H6/c1-6-5-7(12-2)3-4-8(6)9(10)11;1-2/h3-5H,1-2H3;1-2H3
InChIKeySCEFUFYOWYAACF-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.94
Rot. Bonds2

About ethane;4-methoxy-2-methyl-1-nitrobenzene

ethane;4-methoxy-2-methyl-1-nitrobenzene (PubChem CID 142240098) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethane;4-methoxy-2-methyl-1-nitrobenzene.

Molecular Properties

Compound Nameethane;4-methoxy-2-methyl-1-nitrobenzene
PubChem CID142240098
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethane;4-methoxy-2-methyl-1-nitrobenzene
SMILESCC.COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C8H9NO3.C2H6/c1-6-5-7(12-2)3-4-8(6)9(10)11;1-2/h3-5H,1-2H3;1-2H3
InChIKeySCEFUFYOWYAACF-UHFFFAOYSA-N
XLogP2.94
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.94
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

4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
ethane;5-methoxy-2-nitrophenol
CID 143133372
ethane;2-ethyl-4-methoxy-1-nitrobenzene
CID 176687552
1-(4-methoxyphenyl)-4-(3-methyl-4-nitrophenyl)piperazine
CID 58723413
2-methyl-4-(3-methylphenoxy)-1-nitrobenzene
CID 21071560
(S)-(2,4-dimethoxyphenyl)-(3-methyl-4-nitrophenyl)methanol
CID 100804148
5-methoxy-N,N-dimethyl-2-nitroaniline
CID 19827456
2-methyl-1-nitro-4-prop-2-enoxybenzene
CID 14239229
5-methoxy-N-(4-methylphenyl)-2-nitroaniline
CID 67365056
2-chloro-4-methoxy-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazine
CID 62858305
methyl 4-(3-methyl-4-nitrophenoxy)benzoate
CID 60980580
1-(5-methoxy-2-methylphenyl)-2-(4-methyl-2-nitrophenyl)hydrazine
CID 177028501

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-2-methyl-1-nitrobenzene?
The IUPAC name of ethane;4-methoxy-2-methyl-1-nitrobenzene (CID 142240098) is ethane;4-methoxy-2-methyl-1-nitrobenzene.
What is the SMILES notation for ethane;4-methoxy-2-methyl-1-nitrobenzene?
The canonical SMILES for ethane;4-methoxy-2-methyl-1-nitrobenzene is CC.COc1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of ethane;4-methoxy-2-methyl-1-nitrobenzene?
The InChIKey is SCEFUFYOWYAACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.C2H6/c1-6-5-7(12-2)3-4-8(6)9(10)11;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of ethane;4-methoxy-2-methyl-1-nitrobenzene?
ethane;4-methoxy-2-methyl-1-nitrobenzene has a molecular weight of 197.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-2-methyl-1-nitrobenzene is sourced from PubChem (CID 142240098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).