1-bromo-2-hexan-3-yloxybenzene

C12H17BrO — CID 66986707

IUPAC1-bromo-2-hexan-3-yloxybenzene
SMILESCCCC(CC)Oc1ccccc1Br
InChIInChI=1S/C12H17BrO/c1-3-7-10(4-2)14-12-9-6-5-8-11(12)13/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyXOMJMGUMUWCXQJ-UHFFFAOYSA-N
MW257.17 g/mol
LogP4.41
Rot. Bonds5

About 1-bromo-2-hexan-3-yloxybenzene

1-bromo-2-hexan-3-yloxybenzene (PubChem CID 66986707) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 1-bromo-2-hexan-3-yloxybenzene.

Molecular Properties

Compound Name1-bromo-2-hexan-3-yloxybenzene
PubChem CID66986707
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name1-bromo-2-hexan-3-yloxybenzene
SMILESCCCC(CC)Oc1ccccc1Br
InChIInChI=1S/C12H17BrO/c1-3-7-10(4-2)14-12-9-6-5-8-11(12)13/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyXOMJMGUMUWCXQJ-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene
CID 69347469
1,2-di(octan-3-yloxy)benzene
CID 168861859
1,4-dibromo-2,5-di(pentan-3-yloxy)benzene
CID 102111957
2-(2-bromophenoxy)butanoic acid
CID 18786119
2-[(2-bromophenoxy)methyl]pentan-1-amine
CID 117241854
CID 175175444
CID 175175444
4-bromo-2-hexan-3-yloxypyridine
CID 123576746
3-(2-fluorophenoxy)pentan-1-amine
CID 43368122
1-bromo-2-(4-ethylhexoxy)benzene
CID 141091967
2-(2-ethylphenoxy)pentan-1-amine
CID 83044721
N-methyl-2-(2-methylphenoxy)pentan-1-amine
CID 83045023
2-[1-(2-bromophenoxy)ethyl]benzaldehyde
CID 175163460

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-hexan-3-yloxybenzene?
The IUPAC name of 1-bromo-2-hexan-3-yloxybenzene (CID 66986707) is 1-bromo-2-hexan-3-yloxybenzene.
What is the SMILES notation for 1-bromo-2-hexan-3-yloxybenzene?
The canonical SMILES for 1-bromo-2-hexan-3-yloxybenzene is CCCC(CC)Oc1ccccc1Br.
What is the InChIKey of 1-bromo-2-hexan-3-yloxybenzene?
The InChIKey is XOMJMGUMUWCXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-3-7-10(4-2)14-12-9-6-5-8-11(12)13/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 1-bromo-2-hexan-3-yloxybenzene?
1-bromo-2-hexan-3-yloxybenzene has a molecular weight of 257.17 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-hexan-3-yloxybenzene is sourced from PubChem (CID 66986707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).