1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol

C14H14BrFOS — CID 102829639

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1cc(Br)c(C)s1
InChIInChI=1S/C14H14BrFOS/c1-8-3-4-11(16)5-10(8)6-13(17)14-7-12(15)9(2)18-14/h3-5,7,13,17H,6H2,1-2H3
InChIKeyPJVBKAOFJAFSCX-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.54
Rot. Bonds3

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

1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 102829639) has the molecular formula C14H14BrFOS and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol
PubChem CID102829639
Molecular FormulaC14H14BrFOS
Molecular Weight329.23 g/mol
Exact Mass327.99
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1cc(Br)c(C)s1
InChIInChI=1S/C14H14BrFOS/c1-8-3-4-11(16)5-10(8)6-13(17)14-7-12(15)9(2)18-14/h3-5,7,13,17H,6H2,1-2H3
InChIKeyPJVBKAOFJAFSCX-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373495
1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346774
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol
CID 102829535
1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377688
1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102829532
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372816
3-bromo-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-methylthiophene
CID 102835341
1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol
CID 102829531
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 105372798
(4-bromo-5-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512420

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol (CID 102829639) is 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol is Cc1ccc(F)cc1CC(O)c1cc(Br)c(C)s1.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is PJVBKAOFJAFSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFOS/c1-8-3-4-11(16)5-10(8)6-13(17)14-7-12(15)9(2)18-14/h3-5,7,13,17H,6H2,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol?
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 329.23 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 102829639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).