1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol

C12H16BrFO — CID 107893072

IUPAC1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1c(F)cccc1Br
InChIInChI=1S/C12H16BrFO/c1-3-5-8(2)12(15)11-9(13)6-4-7-10(11)14/h4,6-8,12,15H,3,5H2,1-2H3
InChIKeyYBNDSFOYZNTASV-UHFFFAOYSA-N
MW275.16 g/mol
LogP4.06
Rot. Bonds4

About 1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol

1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol (PubChem CID 107893072) has the molecular formula C12H16BrFO and a molecular weight of 275.16 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol
PubChem CID107893072
Molecular FormulaC12H16BrFO
Molecular Weight275.16 g/mol
Exact Mass274.04
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1c(F)cccc1Br
InChIInChI=1S/C12H16BrFO/c1-3-5-8(2)12(15)11-9(13)6-4-7-10(11)14/h4,6-8,12,15H,3,5H2,1-2H3
InChIKeyYBNDSFOYZNTASV-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
1-(2-bromo-6-fluorophenyl)-2,2-difluoroethanol
CID 130062648
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781
2-methyl-1-(2,3,4,5,6-pentafluorophenyl)pentan-1-ol
CID 107894708
4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878758
1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 114885678
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol
CID 114885640
1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol
CID 114885627
1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114885662
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 114887240
1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol
CID 114885556

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol (CID 107893072) is 1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol is CCCC(C)C(O)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol?
The InChIKey is YBNDSFOYZNTASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFO/c1-3-5-8(2)12(15)11-9(13)6-4-7-10(11)14/h4,6-8,12,15H,3,5H2,1-2H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol?
1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol has a molecular weight of 275.16 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-methylpentan-1-ol is sourced from PubChem (CID 107893072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).