6-bromohexan-2-yloxybenzene

C12H17BrO — CID 150425058

IUPAC6-bromohexan-2-yloxybenzene
SMILESCC(CCCCBr)Oc1ccccc1
InChIInChI=1S/C12H17BrO/c1-11(7-5-6-10-13)14-12-8-3-2-4-9-12/h2-4,8-9,11H,5-7,10H2,1H3
InChIKeyHIOVRVOMAUHTCK-UHFFFAOYSA-N
MW257.17 g/mol
LogP4.02
Rot. Bonds6

About 6-bromohexan-2-yloxybenzene

6-bromohexan-2-yloxybenzene (PubChem CID 150425058) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 6-bromohexan-2-yloxybenzene.

Molecular Properties

Compound Name6-bromohexan-2-yloxybenzene
PubChem CID150425058
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name6-bromohexan-2-yloxybenzene
SMILESCC(CCCCBr)Oc1ccccc1
InChIInChI=1S/C12H17BrO/c1-11(7-5-6-10-13)14-12-8-3-2-4-9-12/h2-4,8-9,11H,5-7,10H2,1H3
InChIKeyHIOVRVOMAUHTCK-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

decan-2-yloxybenzene
CID 12838331
2-(6-bromohexan-2-yloxy)ethoxymethylbenzene
CID 91560056
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1,1-diethyl-2-(3-phenoxybutyl)hydrazine
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1-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
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3-bromopropyl(diphenoxymethyl)silane
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Frequently Asked Questions

What is the IUPAC name of 6-bromohexan-2-yloxybenzene?
The IUPAC name of 6-bromohexan-2-yloxybenzene (CID 150425058) is 6-bromohexan-2-yloxybenzene.
What is the SMILES notation for 6-bromohexan-2-yloxybenzene?
The canonical SMILES for 6-bromohexan-2-yloxybenzene is CC(CCCCBr)Oc1ccccc1.
What is the InChIKey of 6-bromohexan-2-yloxybenzene?
The InChIKey is HIOVRVOMAUHTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-11(7-5-6-10-13)14-12-8-3-2-4-9-12/h2-4,8-9,11H,5-7,10H2,1H3.
What are the key properties of 6-bromohexan-2-yloxybenzene?
6-bromohexan-2-yloxybenzene has a molecular weight of 257.17 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromohexan-2-yloxybenzene is sourced from PubChem (CID 150425058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).