1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol

C10H12BrFO — CID 117369438

IUPAC1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol
SMILESCc1cc(Br)c(F)c(C(C)O)c1C
InChIInChI=1S/C10H12BrFO/c1-5-4-8(11)10(12)9(6(5)2)7(3)13/h4,7,13H,1-3H3
InChIKeyKBDCHBHLYLWYIS-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.26
Rot. Bonds1

About 1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol

1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol (PubChem CID 117369438) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is 1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol
PubChem CID117369438
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol
SMILESCc1cc(Br)c(F)c(C(C)O)c1C
InChIInChI=1S/C10H12BrFO/c1-5-4-8(11)10(12)9(6(5)2)7(3)13/h4,7,13H,1-3H3
InChIKeyKBDCHBHLYLWYIS-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluoro-5,6-dimethylphenyl)ethanol
CID 117291204
3-amino-2-(3-bromo-2-fluoro-5,6-dimethylphenyl)propanoic acid
CID 117468277
1-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethanol
CID 84671170
4-bromo-6-fluoro-2-(1-hydroxyethyl)-3-methylphenol
CID 84706862
(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106880220
1-(3-bromo-2,5-difluorophenyl)ethanol
CID 14621022
2-(2-amino-1-hydroxypropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84811322
(4-bromo-3-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 63426192
1-(3-bromo-5-fluoro-2-methylphenyl)ethanol
CID 84696341
2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803107
1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol
CID 117369429
3-(3-bromo-4-fluoro-5-methylphenyl)-2-methylpropanoic acid
CID 84714116

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol (CID 117369438) is 1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol is Cc1cc(Br)c(F)c(C(C)O)c1C.
What is the InChIKey of 1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol?
The InChIKey is KBDCHBHLYLWYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO/c1-5-4-8(11)10(12)9(6(5)2)7(3)13/h4,7,13H,1-3H3.
What are the key properties of 1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol?
1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol has a molecular weight of 247.11 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol is sourced from PubChem (CID 117369438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).