6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol

C13H18BrFO — CID 64515603

IUPAC6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol
SMILESCC(C)C(O)CCCc1ccc(Br)cc1F
InChIInChI=1S/C13H18BrFO/c1-9(2)13(16)5-3-4-10-6-7-11(14)8-12(10)15/h6-9,13,16H,3-5H2,1-2H3
InChIKeyKDNBAKRNEFRUQO-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.93
Rot. Bonds5

About 6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol

6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol (PubChem CID 64515603) has the molecular formula C13H18BrFO and a molecular weight of 289.19 g/mol. Its IUPAC name is 6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol.

Molecular Properties

Compound Name6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol
PubChem CID64515603
Molecular FormulaC13H18BrFO
Molecular Weight289.19 g/mol
Exact Mass288.05
IUPAC Name6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol
SMILESCC(C)C(O)CCCc1ccc(Br)cc1F
InChIInChI=1S/C13H18BrFO/c1-9(2)13(16)5-3-4-10-6-7-11(14)8-12(10)15/h6-9,13,16H,3-5H2,1-2H3
InChIKeyKDNBAKRNEFRUQO-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 64508963
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4-bromo-1-(3-bromo-4,4-dimethylpentyl)-2-fluorobenzene
CID 63471034
1-(4-bromo-2-fluorophenyl)-4-methylpentan-3-one
CID 43438813
1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol
CID 115788477
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
5-(2,4-difluorophenyl)pentan-2-ol
CID 64516740
1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol
CID 102878488
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene
CID 164578261
5-(5-bromo-2-fluorophenyl)pentane-2,3-diol
CID 83933937
1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol
CID 65148579

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol?
The IUPAC name of 6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol (CID 64515603) is 6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol.
What is the SMILES notation for 6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol?
The canonical SMILES for 6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol is CC(C)C(O)CCCc1ccc(Br)cc1F.
What is the InChIKey of 6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol?
The InChIKey is KDNBAKRNEFRUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFO/c1-9(2)13(16)5-3-4-10-6-7-11(14)8-12(10)15/h6-9,13,16H,3-5H2,1-2H3.
What are the key properties of 6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol?
6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol has a molecular weight of 289.19 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-fluorophenyl)-2-methylhexan-3-ol is sourced from PubChem (CID 64515603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).