1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol

C13H12BrFOS — CID 114346774

IUPAC1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1CC(O)c1ccc(Br)s1
InChIInChI=1S/C13H12BrFOS/c1-8-6-10(15)3-2-9(8)7-11(16)12-4-5-13(14)17-12/h2-6,11,16H,7H2,1H3
InChIKeyHVIFAWRLNWTSLD-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.23
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol

1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 114346774) has the molecular formula C13H12BrFOS and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
PubChem CID114346774
Molecular FormulaC13H12BrFOS
Molecular Weight315.21 g/mol
Exact Mass313.98
IUPAC Name1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1CC(O)c1ccc(Br)s1
InChIInChI=1S/C13H12BrFOS/c1-8-6-10(15)3-2-9(8)7-11(16)12-4-5-13(14)17-12/h2-6,11,16H,7H2,1H3
InChIKeyHVIFAWRLNWTSLD-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

Analyze 1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol 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-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 61080789
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 102829639
1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346812
1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346820
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
CID 65148086
2-(2,4-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63893810
2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol
CID 115838318
1-(3-bromo-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 64671392
[1-(2,5-dibromothiophen-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 114022387
1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 115838295
(2-bromo-5-fluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 61081150

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol (CID 114346774) is 1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1CC(O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is HVIFAWRLNWTSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFOS/c1-8-6-10(15)3-2-9(8)7-11(16)12-4-5-13(14)17-12/h2-6,11,16H,7H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol?
1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)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 1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 114346774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).