2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol

C13H13ClOS — CID 107358997

IUPAC2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
SMILESCC(O)(Cc1ccccc1)c1sccc1Cl
InChIInChI=1S/C13H13ClOS/c1-13(15,12-11(14)7-8-16-12)9-10-5-3-2-4-6-10/h2-8,15H,9H2,1H3
InChIKeyJTPTUFXQUHVXTP-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.85
Rot. Bonds3

About 2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol

2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol (PubChem CID 107358997) has the molecular formula C13H13ClOS and a molecular weight of 252.77 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
PubChem CID107358997
Molecular FormulaC13H13ClOS
Molecular Weight252.77 g/mol
Exact Mass252.04
IUPAC Name2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
SMILESCC(O)(Cc1ccccc1)c1sccc1Cl
InChIInChI=1S/C13H13ClOS/c1-13(15,12-11(14)7-8-16-12)9-10-5-3-2-4-6-10/h2-8,15H,9H2,1H3
InChIKeyJTPTUFXQUHVXTP-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 107359205
2-(3-chlorothiophen-2-yl)pentan-2-ol
CID 107359110
1-(3-chlorothiophen-2-yl)-1-phenylethanol
CID 107358959
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol
CID 107358992
2-(3-chlorothiophen-2-yl)propan-2-ol
CID 107358974
2-(2-chlorophenyl)-1-phenylpropan-2-ol
CID 43810130
2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid
CID 107432653
2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol
CID 107361168
1-(4-ethylphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 63990522
2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid
CID 103845907
2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol
CID 107359181
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol (CID 107358997) is 2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol is CC(O)(Cc1ccccc1)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol?
The InChIKey is JTPTUFXQUHVXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClOS/c1-13(15,12-11(14)7-8-16-12)9-10-5-3-2-4-6-10/h2-8,15H,9H2,1H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol?
2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol has a molecular weight of 252.77 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol is sourced from PubChem (CID 107358997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).