2-bromo-4-methyl-1-(2-propoxyethoxy)benzene

C12H17BrO2 — CID 106452978

IUPAC2-bromo-4-methyl-1-(2-propoxyethoxy)benzene
SMILESCCCOCCOc1ccc(C)cc1Br
InChIInChI=1S/C12H17BrO2/c1-3-6-14-7-8-15-12-5-4-10(2)9-11(12)13/h4-5,9H,3,6-8H2,1-2H3
InChIKeyWRODIMILEIMEJG-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.56
Rot. Bonds6

About 2-bromo-4-methyl-1-(2-propoxyethoxy)benzene

2-bromo-4-methyl-1-(2-propoxyethoxy)benzene (PubChem CID 106452978) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-bromo-4-methyl-1-(2-propoxyethoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-methyl-1-(2-propoxyethoxy)benzene
PubChem CID106452978
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name2-bromo-4-methyl-1-(2-propoxyethoxy)benzene
SMILESCCCOCCOc1ccc(C)cc1Br
InChIInChI=1S/C12H17BrO2/c1-3-6-14-7-8-15-12-5-4-10(2)9-11(12)13/h4-5,9H,3,6-8H2,1-2H3
InChIKeyWRODIMILEIMEJG-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-methyl-1-propoxybenzene
CID 21057754
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894
N-[2-(2-bromo-4-methylphenoxy)ethyl]propan-1-amine
CID 29015180
2-bromo-1-[2-[(2-bromophenyl)methoxy]ethoxy]-4-methylbenzene
CID 135207242
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
2-bromo-1-(3-methoxypropoxy)-4-methylbenzene
CID 60778653
2-(2-bromo-4-methylphenoxy)-N-ethylethanamine
CID 27186818
2-bromo-4-methyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 54961869
2-(2-bromo-4-methylphenoxy)ethyl-butylazanium
CID 2299617
1-[3-bromo-4-(2-propoxyethoxy)phenyl]-N-methylethanamine
CID 55233854
N-[[3-bromo-4-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106450099

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-1-(2-propoxyethoxy)benzene?
The IUPAC name of 2-bromo-4-methyl-1-(2-propoxyethoxy)benzene (CID 106452978) is 2-bromo-4-methyl-1-(2-propoxyethoxy)benzene.
What is the SMILES notation for 2-bromo-4-methyl-1-(2-propoxyethoxy)benzene?
The canonical SMILES for 2-bromo-4-methyl-1-(2-propoxyethoxy)benzene is CCCOCCOc1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-4-methyl-1-(2-propoxyethoxy)benzene?
The InChIKey is WRODIMILEIMEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-3-6-14-7-8-15-12-5-4-10(2)9-11(12)13/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of 2-bromo-4-methyl-1-(2-propoxyethoxy)benzene?
2-bromo-4-methyl-1-(2-propoxyethoxy)benzene has a molecular weight of 273.17 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-1-(2-propoxyethoxy)benzene is sourced from PubChem (CID 106452978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).