[2-(bromomethyl)-6-methoxyhexyl]benzene

C14H21BrO — CID 104650695

IUPAC[2-(bromomethyl)-6-methoxyhexyl]benzene
SMILESCOCCCCC(CBr)Cc1ccccc1
InChIInChI=1S/C14H21BrO/c1-16-10-6-5-9-14(12-15)11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3
InChIKeyVAQDLSRUBNRZFM-UHFFFAOYSA-N
MW285.22 g/mol
LogP4.06
Rot. Bonds8

About [2-(bromomethyl)-6-methoxyhexyl]benzene

[2-(bromomethyl)-6-methoxyhexyl]benzene (PubChem CID 104650695) has the molecular formula C14H21BrO and a molecular weight of 285.22 g/mol. Its IUPAC name is [2-(bromomethyl)-6-methoxyhexyl]benzene.

Molecular Properties

Compound Name[2-(bromomethyl)-6-methoxyhexyl]benzene
PubChem CID104650695
Molecular FormulaC14H21BrO
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name[2-(bromomethyl)-6-methoxyhexyl]benzene
SMILESCOCCCCC(CBr)Cc1ccccc1
InChIInChI=1S/C14H21BrO/c1-16-10-6-5-9-14(12-15)11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3
InChIKeyVAQDLSRUBNRZFM-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 54.06
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

1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene
CID 104650707
2-benzyl-6-methoxyhexan-1-amine
CID 104649139
1-[2-(bromomethyl)-5-methoxypentyl]-4-fluorobenzene
CID 66042083
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine
CID 104649162
1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene
CID 66041333
1-[2-(bromomethyl)-5-methoxypentyl]-3-chlorobenzene
CID 66040719
[4-methoxy-2-(2-methoxyethyl)butyl]benzene
CID 175035100
[2-(chloromethyl)-4-methoxybutyl]benzene
CID 66034058
5-methoxy-1-phenylpentan-2-amine
CID 62608693
1-[2-(chloromethyl)-6-methoxyhexyl]-4-methylbenzene
CID 104650668
1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene
CID 66042497

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-methoxyhexyl]benzene?
The IUPAC name of [2-(bromomethyl)-6-methoxyhexyl]benzene (CID 104650695) is [2-(bromomethyl)-6-methoxyhexyl]benzene.
What is the SMILES notation for [2-(bromomethyl)-6-methoxyhexyl]benzene?
The canonical SMILES for [2-(bromomethyl)-6-methoxyhexyl]benzene is COCCCCC(CBr)Cc1ccccc1.
What is the InChIKey of [2-(bromomethyl)-6-methoxyhexyl]benzene?
The InChIKey is VAQDLSRUBNRZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-16-10-6-5-9-14(12-15)11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3.
What are the key properties of [2-(bromomethyl)-6-methoxyhexyl]benzene?
[2-(bromomethyl)-6-methoxyhexyl]benzene has a molecular weight of 285.22 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-6-methoxyhexyl]benzene is sourced from PubChem (CID 104650695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).