1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol

C16H18BrClOS — CID 102830173

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol
SMILESCC(C)(C)c1ccc(CC(O)c2cc(Br)c(Cl)s2)cc1
InChIInChI=1S/C16H18BrClOS/c1-16(2,3)11-6-4-10(5-7-11)8-13(19)14-9-12(17)15(18)20-14/h4-7,9,13,19H,8H2,1-3H3
InChIKeyMJDDSQHRDMOEEF-UHFFFAOYSA-N
MW373.74 g/mol
LogP5.74
Rot. Bonds3

About 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol

1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol (PubChem CID 102830173) has the molecular formula C16H18BrClOS and a molecular weight of 373.74 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol
PubChem CID102830173
Molecular FormulaC16H18BrClOS
Molecular Weight373.74 g/mol
Exact Mass372.00
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol
SMILESCC(C)(C)c1ccc(CC(O)c2cc(Br)c(Cl)s2)cc1
InChIInChI=1S/C16H18BrClOS/c1-16(2,3)11-6-4-10(5-7-11)8-13(19)14-9-12(17)15(18)20-14/h4-7,9,13,19H,8H2,1-3H3
InChIKeyMJDDSQHRDMOEEF-UHFFFAOYSA-N
XLogP5.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.74
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 102829878
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
CID 102830220
1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102829532
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
CID 102829814
1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 80535664
1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
CID 102830262
1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 102830009
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol
CID 102764589
3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene
CID 102836965
1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol
CID 102829973
2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 115786578
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857075

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol (CID 102830173) is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol is CC(C)(C)c1ccc(CC(O)c2cc(Br)c(Cl)s2)cc1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol?
The InChIKey is MJDDSQHRDMOEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClOS/c1-16(2,3)11-6-4-10(5-7-11)8-13(19)14-9-12(17)15(18)20-14/h4-7,9,13,19H,8H2,1-3H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol?
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol has a molecular weight of 373.74 g/mol, XLogP of 5.74, 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-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol is sourced from PubChem (CID 102830173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).