2-bromo-4-methyl-1-propoxybenzene

C10H13BrO — CID 21057754

IUPAC2-bromo-4-methyl-1-propoxybenzene
SMILESCCCOc1ccc(C)cc1Br
InChIInChI=1S/C10H13BrO/c1-3-6-12-10-5-4-8(2)7-9(10)11/h4-5,7H,3,6H2,1-2H3
InChIKeyWHJORYFGYFWDNG-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.55
Rot. Bonds3

About 2-bromo-4-methyl-1-propoxybenzene

2-bromo-4-methyl-1-propoxybenzene (PubChem CID 21057754) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-bromo-4-methyl-1-propoxybenzene.

Molecular Properties

Compound Name2-bromo-4-methyl-1-propoxybenzene
PubChem CID21057754
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name2-bromo-4-methyl-1-propoxybenzene
SMILESCCCOc1ccc(C)cc1Br
InChIInChI=1S/C10H13BrO/c1-3-6-12-10-5-4-8(2)7-9(10)11/h4-5,7H,3,6H2,1-2H3
InChIKeyWHJORYFGYFWDNG-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-methyl-1-(2-propoxyethoxy)benzene
CID 106452978
N-[2-(2-bromo-4-methylphenoxy)ethyl]propan-1-amine
CID 29015180
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
2-bromo-1-(3-methoxypropoxy)-4-methylbenzene
CID 60778653
2-(2-bromo-4-methylphenoxy)-N-ethylethanamine
CID 27186818
2-(2-bromo-4-methylphenoxy)ethyl-butylazanium
CID 2299617
6-(2-bromo-4-methylphenoxy)hexan-1-ol
CID 103801841
2-(2-bromo-4-methylphenoxy)-5-fluoro-4-propoxyaniline
CID 63593727
2-bromo-4-methyl-1-(3-phenoxypropoxy)benzene
CID 55027204
(3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine
CID 104657901
3-(2-bromo-4-methylphenoxy)propanethioamide
CID 28602618
2-bromo-1-[3-(2-methoxyphenoxy)propoxy]-4-methylbenzene
CID 2899283

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-1-propoxybenzene?
The IUPAC name of 2-bromo-4-methyl-1-propoxybenzene (CID 21057754) is 2-bromo-4-methyl-1-propoxybenzene.
What is the SMILES notation for 2-bromo-4-methyl-1-propoxybenzene?
The canonical SMILES for 2-bromo-4-methyl-1-propoxybenzene is CCCOc1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-4-methyl-1-propoxybenzene?
The InChIKey is WHJORYFGYFWDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-3-6-12-10-5-4-8(2)7-9(10)11/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 2-bromo-4-methyl-1-propoxybenzene?
2-bromo-4-methyl-1-propoxybenzene has a molecular weight of 229.12 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-1-propoxybenzene is sourced from PubChem (CID 21057754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).