2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol

C13H12BrFOS — CID 65148086

IUPAC2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(O)Cc2ccc(Br)cc2F)s1
InChIInChI=1S/C13H12BrFOS/c1-8-2-5-13(17-8)12(16)6-9-3-4-10(14)7-11(9)15/h2-5,7,12,16H,6H2,1H3
InChIKeyZZLAJBGRUYNFLI-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.23
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol

2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol (PubChem CID 65148086) has the molecular formula C13H12BrFOS and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
PubChem CID65148086
Molecular FormulaC13H12BrFOS
Molecular Weight315.21 g/mol
Exact Mass313.98
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(O)Cc2ccc(Br)cc2F)s1
InChIInChI=1S/C13H12BrFOS/c1-8-2-5-13(17-8)12(16)6-9-3-4-10(14)7-11(9)15/h2-5,7,12,16H,6H2,1H3
InChIKeyZZLAJBGRUYNFLI-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol
CID 115788463
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115788594
2-(4-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115788462
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol
CID 62608623
2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
CID 115788510
2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanone
CID 114968514
1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346774
2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105089166
2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
CID 61101540
1-(4-aminophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 106695442
2-(4-bromo-2-chlorophenyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105038016

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol (CID 65148086) is 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol is Cc1ccc(C(O)Cc2ccc(Br)cc2F)s1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol?
The InChIKey is ZZLAJBGRUYNFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFOS/c1-8-2-5-13(17-8)12(16)6-9-3-4-10(14)7-11(9)15/h2-5,7,12,16H,6H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol?
2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol has a molecular weight of 315.21 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 65148086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).