1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene

C15H23BrO2 — CID 104650707

IUPAC1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene
SMILESCOCCCCC(CBr)Cc1ccc(OC)cc1
InChIInChI=1S/C15H23BrO2/c1-17-10-4-3-5-14(12-16)11-13-6-8-15(18-2)9-7-13/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyVWOYLAZMVLFFEE-UHFFFAOYSA-N
MW315.25 g/mol
LogP4.07
Rot. Bonds9

About 1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene

1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene (PubChem CID 104650707) has the molecular formula C15H23BrO2 and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene
PubChem CID104650707
Molecular FormulaC15H23BrO2
Molecular Weight315.25 g/mol
Exact Mass314.09
IUPAC Name1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene
SMILESCOCCCCC(CBr)Cc1ccc(OC)cc1
InChIInChI=1S/C15H23BrO2/c1-17-10-4-3-5-14(12-16)11-13-6-8-15(18-2)9-7-13/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyVWOYLAZMVLFFEE-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)undecyl]-4-methoxybenzene
CID 66041899
[2-(bromomethyl)-6-methoxyhexyl]benzene
CID 104650695
1-[2-(bromomethyl)-6,6-dimethylheptyl]-4-methoxybenzene
CID 114210581
1-[2-(chloromethyl)-5-methoxypentyl]-4-methoxybenzene
CID 66034598
1-[2-(bromomethyl)-5-methoxypentyl]-4-fluorobenzene
CID 66042083
1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene
CID 66041333
5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine
CID 62516781
1-[2-(bromomethyl)-4-tert-butylsulfanylbutyl]-4-methoxybenzene
CID 114271571
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
1-[2-(bromomethyl)-4-cyclopentylbutyl]-4-methoxybenzene
CID 114193331
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
1-bromo-4-[2-(bromomethyl)-4-(2-methoxyethoxy)butyl]benzene
CID 66042497

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene?
The IUPAC name of 1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene (CID 104650707) is 1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene?
The canonical SMILES for 1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene is COCCCCC(CBr)Cc1ccc(OC)cc1.
What is the InChIKey of 1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene?
The InChIKey is VWOYLAZMVLFFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO2/c1-17-10-4-3-5-14(12-16)11-13-6-8-15(18-2)9-7-13/h6-9,14H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene?
1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene has a molecular weight of 315.25 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-6-methoxyhexyl]-4-methoxybenzene is sourced from PubChem (CID 104650707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).