1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol

C12H16BrFO — CID 62606118

IUPAC1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
SMILESCC(C)CC(O)Cc1cc(F)ccc1Br
InChIInChI=1S/C12H16BrFO/c1-8(2)5-11(15)7-9-6-10(14)3-4-12(9)13/h3-4,6,8,11,15H,5,7H2,1-2H3
InChIKeyMTORFTQSWZRIKI-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.54
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol

1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol (PubChem CID 62606118) has the molecular formula C12H16BrFO and a molecular weight of 275.16 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
PubChem CID62606118
Molecular FormulaC12H16BrFO
Molecular Weight275.16 g/mol
Exact Mass274.04
IUPAC Name1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol
SMILESCC(C)CC(O)Cc1cc(F)ccc1Br
InChIInChI=1S/C12H16BrFO/c1-8(2)5-11(15)7-9-6-10(14)3-4-12(9)13/h3-4,6,8,11,15H,5,7H2,1-2H3
InChIKeyMTORFTQSWZRIKI-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-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-5-fluorophenyl)-4-phenylpentan-2-ol
CID 65149860
1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
CID 62608798
1-(2-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 62608381
1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 62607777
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
1-(2-bromo-5-fluorophenyl)nonan-2-ol
CID 65149021
5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one
CID 64720945
1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine
CID 62604665
1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-ol
CID 65149561
1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 63410719
3-(2-bromo-5-fluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 104846213
(2R)-1-[(2-bromo-5-fluorophenyl)methylamino]propan-2-ol
CID 93083077

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol (CID 62606118) is 1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol is CC(C)CC(O)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol?
The InChIKey is MTORFTQSWZRIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFO/c1-8(2)5-11(15)7-9-6-10(14)3-4-12(9)13/h3-4,6,8,11,15H,5,7H2,1-2H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol?
1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol has a molecular weight of 275.16 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-4-methylpentan-2-ol is sourced from PubChem (CID 62606118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).