1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene

C12H17BrO2 — CID 61097408

IUPAC1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene
SMILESCCC(Br)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C12H17BrO2/c1-5-10(13)9-7-12(15-4)11(14-3)6-8(9)2/h6-7,10H,5H2,1-4H3
InChIKeyJVDWJYFOZULTEN-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.86
Rot. Bonds4

About 1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene

1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene (PubChem CID 61097408) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene.

Molecular Properties

Compound Name1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene
PubChem CID61097408
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene
SMILESCCC(Br)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C12H17BrO2/c1-5-10(13)9-7-12(15-4)11(14-3)6-8(9)2/h6-7,10H,5H2,1-4H3
InChIKeyJVDWJYFOZULTEN-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1-bromooctyl)-4,5-dimethoxy-2-methylbenzene
CID 63443348
1-(1-bromopropyl)-4-methoxy-2-methylbenzene
CID 61097886
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 116961940
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 116915074
1-(4,5-dimethoxy-2-methylphenyl)-N-ethylpropan-1-amine
CID 43626772
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)propan-2-one
CID 116859802
[5-[1-(5-cyanato-4-methoxy-2-methylphenyl)propyl]-2-methoxy-4-methylphenyl] cyanate
CID 138514495
1-butan-2-yl-5-methoxy-2,4-dimethylbenzene
CID 144980692
1-[bromo-(4-methylphenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443811
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
CID 61080760
2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol
CID 105424343

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene?
The IUPAC name of 1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene (CID 61097408) is 1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene.
What is the SMILES notation for 1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene?
The canonical SMILES for 1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene is CCC(Br)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene?
The InChIKey is JVDWJYFOZULTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-5-10(13)9-7-12(15-4)11(14-3)6-8(9)2/h6-7,10H,5H2,1-4H3.
What are the key properties of 1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene?
1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene has a molecular weight of 273.17 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene is sourced from PubChem (CID 61097408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).