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

C13H11Br2FOS — CID 115788463

IUPAC2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol
SMILESCc1cc(C(O)Cc2ccc(Br)cc2F)sc1Br
InChIInChI=1S/C13H11Br2FOS/c1-7-4-12(18-13(7)15)11(17)5-8-2-3-9(14)6-10(8)16/h2-4,6,11,17H,5H2,1H3
InChIKeyDOQARISFQHLRLQ-UHFFFAOYSA-N
MW394.10 g/mol
LogP5.00
Rot. Bonds3

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

2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol (PubChem CID 115788463) has the molecular formula C13H11Br2FOS and a molecular weight of 394.10 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol
PubChem CID115788463
Molecular FormulaC13H11Br2FOS
Molecular Weight394.10 g/mol
Exact Mass391.89
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol
SMILESCc1cc(C(O)Cc2ccc(Br)cc2F)sc1Br
InChIInChI=1S/C13H11Br2FOS/c1-7-4-12(18-13(7)15)11(17)5-8-2-3-9(14)6-10(8)16/h2-4,6,11,17H,5H2,1H3
InChIKeyDOQARISFQHLRLQ-UHFFFAOYSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.10
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
CID 65148086
2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylethanamine
CID 115844430
2-(4-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115788462
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115788594
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 79996332
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol
CID 107103323
2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
CID 115788510
2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol
CID 62608623
2-(4-bromo-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 115844464
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol
CID 79996774
3-(4-bromo-2-fluorophenyl)-1,1-diethoxypropan-2-ol
CID 79495756

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol (CID 115788463) is 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol is Cc1cc(C(O)Cc2ccc(Br)cc2F)sc1Br.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol?
The InChIKey is DOQARISFQHLRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2FOS/c1-7-4-12(18-13(7)15)11(17)5-8-2-3-9(14)6-10(8)16/h2-4,6,11,17H,5H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol?
2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol has a molecular weight of 394.10 g/mol, XLogP of 5.00, 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-bromo-4-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 115788463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).