1-(3-chlorothiophen-2-yl)-1-phenylethanol

C12H11ClOS — CID 107358959

IUPAC1-(3-chlorothiophen-2-yl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1sccc1Cl
InChIInChI=1S/C12H11ClOS/c1-12(14,9-5-3-2-4-6-9)11-10(13)7-8-15-11/h2-8,14H,1H3
InChIKeyHTYAWXWYFSVMIT-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.66
Rot. Bonds2

About 1-(3-chlorothiophen-2-yl)-1-phenylethanol

1-(3-chlorothiophen-2-yl)-1-phenylethanol (PubChem CID 107358959) has the molecular formula C12H11ClOS and a molecular weight of 238.74 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-1-phenylethanol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-1-phenylethanol
PubChem CID107358959
Molecular FormulaC12H11ClOS
Molecular Weight238.74 g/mol
Exact Mass238.02
IUPAC Name1-(3-chlorothiophen-2-yl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1sccc1Cl
InChIInChI=1S/C12H11ClOS/c1-12(14,9-5-3-2-4-6-9)11-10(13)7-8-15-11/h2-8,14H,1H3
InChIKeyHTYAWXWYFSVMIT-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol
CID 107358966
1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol
CID 107358970
1-(3-methylthiophen-2-yl)-1-phenylethanol
CID 63991510
2-(3-chlorothiophen-2-yl)propan-2-ol
CID 107358974
2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
CID 107358997
2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid
CID 103845907
2-(3-chlorothiophen-2-yl)pentan-2-ol
CID 107359110
2-(3-chlorothiophen-2-yl)propan-2-amine;hydrochloride
CID 23622414
(1R)-1-phenyl-1-thiophen-2-ylethanol
CID 674763
2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 107359205
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol
CID 107358992
2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol
CID 107359188

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-1-phenylethanol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-1-phenylethanol (CID 107358959) is 1-(3-chlorothiophen-2-yl)-1-phenylethanol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-1-phenylethanol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-1-phenylethanol is CC(O)(c1ccccc1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-1-phenylethanol?
The InChIKey is HTYAWXWYFSVMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClOS/c1-12(14,9-5-3-2-4-6-9)11-10(13)7-8-15-11/h2-8,14H,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-1-phenylethanol?
1-(3-chlorothiophen-2-yl)-1-phenylethanol has a molecular weight of 238.74 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-1-phenylethanol is sourced from PubChem (CID 107358959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).