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

C12H10Cl2OS — CID 107358966

IUPAC1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol
SMILESCC(O)(c1ccc(Cl)cc1)c1sccc1Cl
InChIInChI=1S/C12H10Cl2OS/c1-12(15,11-10(14)6-7-16-11)8-2-4-9(13)5-3-8/h2-7,15H,1H3
InChIKeyKDRAEVKSZPVRAQ-UHFFFAOYSA-N
MW273.18 g/mol
LogP4.31
Rot. Bonds2

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

1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol (PubChem CID 107358966) has the molecular formula C12H10Cl2OS and a molecular weight of 273.18 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol
PubChem CID107358966
Molecular FormulaC12H10Cl2OS
Molecular Weight273.18 g/mol
Exact Mass271.98
IUPAC Name1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol
SMILESCC(O)(c1ccc(Cl)cc1)c1sccc1Cl
InChIInChI=1S/C12H10Cl2OS/c1-12(15,11-10(14)6-7-16-11)8-2-4-9(13)5-3-8/h2-7,15H,1H3
InChIKeyKDRAEVKSZPVRAQ-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-1-phenylethanol
CID 107358959
2-(3-chlorothiophen-2-yl)propan-2-ol
CID 107358974
1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol
CID 107358970
2-(3-chlorothiophen-2-yl)pentan-2-ol
CID 107359110
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
2-(3-chlorothiophen-2-yl)propan-2-amine;hydrochloride
CID 23622414
1-amino-1-(4-chlorophenyl)ethanol
CID 23370677
2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid
CID 103845907
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol
CID 107358992
2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol
CID 107359188
1-(3-methylthiophen-2-yl)-1-phenylethanol
CID 63991510
2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
CID 107358997

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol (CID 107358966) is 1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol is CC(O)(c1ccc(Cl)cc1)c1sccc1Cl.
What is the InChIKey of 1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol?
The InChIKey is KDRAEVKSZPVRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2OS/c1-12(15,11-10(14)6-7-16-11)8-2-4-9(13)5-3-8/h2-7,15H,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol?
1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol has a molecular weight of 273.18 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 107358966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).