2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol

C12H10BrClOS — CID 80530275

IUPAC2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1sccc1Cl
InChIInChI=1S/C12H10BrClOS/c13-9-3-1-8(2-4-9)7-11(15)12-10(14)5-6-16-12/h1-6,11,15H,7H2
InChIKeyMZUCPCFROYJPAP-UHFFFAOYSA-N
MW317.64 g/mol
LogP4.44
Rot. Bonds3

About 2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol

2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol (PubChem CID 80530275) has the molecular formula C12H10BrClOS and a molecular weight of 317.64 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol
PubChem CID80530275
Molecular FormulaC12H10BrClOS
Molecular Weight317.64 g/mol
Exact Mass315.93
IUPAC Name2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1sccc1Cl
InChIInChI=1S/C12H10BrClOS/c13-9-3-1-8(2-4-9)7-11(15)12-10(14)5-6-16-12/h1-6,11,15H,7H2
InChIKeyMZUCPCFROYJPAP-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

1-(3-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 55239745
1-(3-chlorothiophen-2-yl)-2-(furan-3-yl)ethanol
CID 115830332
1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822545
3-bromo-2-[2-(4-bromophenyl)-1-chloroethyl]thiophene
CID 63800008
1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol
CID 80529585
1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol
CID 115828463
3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
CID 80641547
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703
2-(4-bromophenyl)-1-thiophen-3-ylethanol
CID 60797618
(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530430
1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol
CID 114982062

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol (CID 80530275) is 2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol is OC(Cc1ccc(Br)cc1)c1sccc1Cl.
What is the InChIKey of 2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol?
The InChIKey is MZUCPCFROYJPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClOS/c13-9-3-1-8(2-4-9)7-11(15)12-10(14)5-6-16-12/h1-6,11,15H,7H2.
What are the key properties of 2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol?
2-(4-bromophenyl)-1-(3-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 2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 80530275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).