2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol

C10H12BrFO — CID 83384512

IUPAC2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol
SMILESCc1ccc(Br)c(C(C)(C)O)c1F
InChIInChI=1S/C10H12BrFO/c1-6-4-5-7(11)8(9(6)12)10(2,3)13/h4-5,13H,1-3H3
InChIKeyITVANIUHYDWBMD-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.12
Rot. Bonds1

About 2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol

2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol (PubChem CID 83384512) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is 2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol
PubChem CID83384512
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol
SMILESCc1ccc(Br)c(C(C)(C)O)c1F
InChIInChI=1S/C10H12BrFO/c1-6-4-5-7(11)8(9(6)12)10(2,3)13/h4-5,13H,1-3H3
InChIKeyITVANIUHYDWBMD-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-Bromophenyl)ethanol
CID 95352
1-(2-Bromophenyl)ethanol
CID 95455
2-(2-Bromophenyl)propan-2-ol
CID 329527
1-(4-Bromophenyl)-2-methylpropan-2-ol
CID 316785
4-Bromo-alpha-propylbenzenemethanol
CID 90739
4-Bromo-alpha-ethylbenzenemethanol
CID 107290
(R)-1-(2-bromophenyl)ethanol
CID 2734868
(1S)-1-(4-bromophenyl)ethan-1-ol
CID 2734890
1-(2-Bromophenyl)ethan-1-ol
CID 6950331
2-(4-Bromophenyl)propan-2-ol
CID 12681920
4-Bromo-alpha-cyclopropyl-alpha-methylbenzyl alcohol
CID 91987
1,3-Butanediol, 1-(p-bromophenyl)-2-methyl-3-trifluoromethyl-4,4,4-trifluoro-
CID 36964

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol?
The IUPAC name of 2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol (CID 83384512) is 2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol.
What is the SMILES notation for 2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol?
The canonical SMILES for 2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol is Cc1ccc(Br)c(C(C)(C)O)c1F.
What is the InChIKey of 2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol?
The InChIKey is ITVANIUHYDWBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO/c1-6-4-5-7(11)8(9(6)12)10(2,3)13/h4-5,13H,1-3H3.
What are the key properties of 2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol?
2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol has a molecular weight of 247.11 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-fluoro-3-methylphenyl)propan-2-ol is sourced from PubChem (CID 83384512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).