2-(4-bromophenyl)-6-methoxyhexan-1-ol

C13H19BrO2 — CID 104650630

IUPAC2-(4-bromophenyl)-6-methoxyhexan-1-ol
SMILESCOCCCCC(CO)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrO2/c1-16-9-3-2-4-12(10-15)11-5-7-13(14)8-6-11/h5-8,12,15H,2-4,9-10H2,1H3
InChIKeyQABPLMFUPSOIFL-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.34
Rot. Bonds7

About 2-(4-bromophenyl)-6-methoxyhexan-1-ol

2-(4-bromophenyl)-6-methoxyhexan-1-ol (PubChem CID 104650630) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-methoxyhexan-1-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-methoxyhexan-1-ol
PubChem CID104650630
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name2-(4-bromophenyl)-6-methoxyhexan-1-ol
SMILESCOCCCCC(CO)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrO2/c1-16-9-3-2-4-12(10-15)11-5-7-13(14)8-6-11/h5-8,12,15H,2-4,9-10H2,1H3
InChIKeyQABPLMFUPSOIFL-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-(1-bromo-6-methoxyhexan-2-yl)benzene
CID 104650728
2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine
CID 104649474
2-(4-bromophenyl)-5,5-dimethylhexan-1-ol
CID 79437377
2-(4-bromophenyl)-4-methoxybutan-1-amine
CID 79441671
(2R)-2-(4-bromophenyl)butan-1-ol
CID 59315157
2-(4-bromophenyl)-2-methoxyethanol
CID 20785407
(2R)-2-(4-bromophenyl)-2-methoxyethanol
CID 59315196
[2-(4-bromophenyl)-3-hydroxypropyl] acetate
CID 66718437
1-(4-bromophenyl)-4-methoxy-N-methylbutan-1-amine
CID 115601640
2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol
CID 62543970
2-(4-bromophenyl)-3-sulfanylpropan-1-ol
CID 117245035
2-[(4-bromophenyl)methyl]-6-methoxyhexanoic acid
CID 104648514

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-methoxyhexan-1-ol?
The IUPAC name of 2-(4-bromophenyl)-6-methoxyhexan-1-ol (CID 104650630) is 2-(4-bromophenyl)-6-methoxyhexan-1-ol.
What is the SMILES notation for 2-(4-bromophenyl)-6-methoxyhexan-1-ol?
The canonical SMILES for 2-(4-bromophenyl)-6-methoxyhexan-1-ol is COCCCCC(CO)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6-methoxyhexan-1-ol?
The InChIKey is QABPLMFUPSOIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-16-9-3-2-4-12(10-15)11-5-7-13(14)8-6-11/h5-8,12,15H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-bromophenyl)-6-methoxyhexan-1-ol?
2-(4-bromophenyl)-6-methoxyhexan-1-ol has a molecular weight of 287.20 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-methoxyhexan-1-ol is sourced from PubChem (CID 104650630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).