1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol

C12H10BrClOS — CID 62607206

IUPAC1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Cl)s1)c1ccc(Br)cc1
InChIInChI=1S/C12H10BrClOS/c13-9-3-1-8(2-4-9)11(15)7-10-5-6-12(14)16-10/h1-6,11,15H,7H2
InChIKeyGWTLPDKZZBDTDZ-UHFFFAOYSA-N
MW317.64 g/mol
LogP4.44
Rot. Bonds3

About 1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol

1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol (PubChem CID 62607206) has the molecular formula C12H10BrClOS and a molecular weight of 317.64 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
PubChem CID62607206
Molecular FormulaC12H10BrClOS
Molecular Weight317.64 g/mol
Exact Mass315.93
IUPAC Name1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Cl)s1)c1ccc(Br)cc1
InChIInChI=1S/C12H10BrClOS/c13-9-3-1-8(2-4-9)11(15)7-10-5-6-12(14)16-10/h1-6,11,15H,7H2
InChIKeyGWTLPDKZZBDTDZ-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.64
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-bromo-2-(4-bromophenyl)propyl]-5-chlorothiophene
CID 79434777
1-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62608628
N-[1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 63411936
2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol
CID 65150596
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol
CID 102829535
2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol
CID 62607085
2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol
CID 115524905
2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351112
[2-(5-chlorothiophen-2-yl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107978997
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol
CID 55118276
2-(5-chlorothiophen-2-yl)-1-(2-ethylphenyl)ethanol
CID 65150095
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 62607022

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol (CID 62607206) is 1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol is OC(Cc1ccc(Cl)s1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol?
The InChIKey is GWTLPDKZZBDTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClOS/c13-9-3-1-8(2-4-9)11(15)7-10-5-6-12(14)16-10/h1-6,11,15H,7H2.
What are the key properties of 1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol?
1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol has a molecular weight of 317.64 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 62607206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).