2-butyl-1-methoxy-3,4-dimethylbenzene

C13H20O — CID 150631165

IUPAC2-butyl-1-methoxy-3,4-dimethylbenzene
SMILESCCCCc1c(OC)ccc(C)c1C
InChIInChI=1S/C13H20O/c1-5-6-7-12-11(3)10(2)8-9-13(12)14-4/h8-9H,5-7H2,1-4H3
InChIKeyIXXLBJMSMCCVEX-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.65
Rot. Bonds4

About 2-butyl-1-methoxy-3,4-dimethylbenzene

2-butyl-1-methoxy-3,4-dimethylbenzene (PubChem CID 150631165) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-butyl-1-methoxy-3,4-dimethylbenzene.

Molecular Properties

Compound Name2-butyl-1-methoxy-3,4-dimethylbenzene
PubChem CID150631165
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-butyl-1-methoxy-3,4-dimethylbenzene
SMILESCCCCc1c(OC)ccc(C)c1C
InChIInChI=1S/C13H20O/c1-5-6-7-12-11(3)10(2)8-9-13(12)14-4/h8-9H,5-7H2,1-4H3
InChIKeyIXXLBJMSMCCVEX-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-1,3-dimethoxybenzene
CID 524840
2-hexyl-1,3-dimethoxy-4-methylbenzene
CID 524849
2,3-dibutyl-4-methoxyaniline
CID 175061118
1,3-dibutyl-2,4-dimethoxybenzene
CID 162495747
2-butyl-4-methoxy-3-methylaniline
CID 134964054
triethoxy-[(6-methoxy-2,3-dimethylphenyl)methyl]silane
CID 59566888
1-(6-methoxy-2,3-dimethylphenyl)propan-2-amine
CID 117284120
azane;2-dodecyl-1-ethoxy-3,4-dimethylbenzene;ethylphosphane;hydrate;tetrahydrobromide
CID 174920382
2-(3,6-dimethoxy-2-methylphenyl)ethanol
CID 117286361
6-methoxy-3-methyl-2-propylphenol
CID 170766303
3-benzyl-1,2-dibutyl-4-methoxybenzene
CID 70537049
2-butyl-3-methoxybenzaldehyde
CID 86170278

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methoxy-3,4-dimethylbenzene?
The IUPAC name of 2-butyl-1-methoxy-3,4-dimethylbenzene (CID 150631165) is 2-butyl-1-methoxy-3,4-dimethylbenzene.
What is the SMILES notation for 2-butyl-1-methoxy-3,4-dimethylbenzene?
The canonical SMILES for 2-butyl-1-methoxy-3,4-dimethylbenzene is CCCCc1c(OC)ccc(C)c1C.
What is the InChIKey of 2-butyl-1-methoxy-3,4-dimethylbenzene?
The InChIKey is IXXLBJMSMCCVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-6-7-12-11(3)10(2)8-9-13(12)14-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-butyl-1-methoxy-3,4-dimethylbenzene?
2-butyl-1-methoxy-3,4-dimethylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methoxy-3,4-dimethylbenzene is sourced from PubChem (CID 150631165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).