1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol

C14H14BrClOS — CID 102829878

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2cc(Br)c(Cl)s2)cc1
InChIInChI=1S/C14H14BrClOS/c1-2-9-3-5-10(6-4-9)7-12(17)13-8-11(15)14(16)18-13/h3-6,8,12,17H,2,7H2,1H3
InChIKeyOVUUCQXBNATBCG-UHFFFAOYSA-N
MW345.69 g/mol
LogP5.00
Rot. Bonds4

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

1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol (PubChem CID 102829878) has the molecular formula C14H14BrClOS and a molecular weight of 345.69 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol
PubChem CID102829878
Molecular FormulaC14H14BrClOS
Molecular Weight345.69 g/mol
Exact Mass343.96
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2cc(Br)c(Cl)s2)cc1
InChIInChI=1S/C14H14BrClOS/c1-2-9-3-5-10(6-4-9)7-12(17)13-8-11(15)14(16)18-13/h3-6,8,12,17H,2,7H2,1H3
InChIKeyOVUUCQXBNATBCG-UHFFFAOYSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.69
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
CID 102830220
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol
CID 102830173
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
CID 102829814
1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
CID 102830262
1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanol
CID 102830097
1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 102830009
3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene
CID 102836965
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol
CID 102764589
1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol
CID 102829973
1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol
CID 114980844
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857075
1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 114980831

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol (CID 102829878) is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol is CCc1ccc(CC(O)c2cc(Br)c(Cl)s2)cc1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol?
The InChIKey is OVUUCQXBNATBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClOS/c1-2-9-3-5-10(6-4-9)7-12(17)13-8-11(15)14(16)18-13/h3-6,8,12,17H,2,7H2,1H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol?
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol has a molecular weight of 345.69 g/mol, XLogP of 5.00, 4 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-ethylphenyl)ethanol is sourced from PubChem (CID 102829878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).