2-(3-chlorothiophen-2-yl)propan-2-ol

C7H9ClOS — CID 107358974

IUPAC2-(3-chlorothiophen-2-yl)propan-2-ol
SMILESCC(C)(O)c1sccc1Cl
InChIInChI=1S/C7H9ClOS/c1-7(2,9)6-5(8)3-4-10-6/h3-4,9H,1-2H3
InChIKeyHHVSQVVBOOBERI-UHFFFAOYSA-N
MW176.67 g/mol
LogP2.63
Rot. Bonds1

About 2-(3-chlorothiophen-2-yl)propan-2-ol

2-(3-chlorothiophen-2-yl)propan-2-ol (PubChem CID 107358974) has the molecular formula C7H9ClOS and a molecular weight of 176.67 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)propan-2-ol
PubChem CID107358974
Molecular FormulaC7H9ClOS
Molecular Weight176.67 g/mol
Exact Mass176.01
IUPAC Name2-(3-chlorothiophen-2-yl)propan-2-ol
SMILESCC(C)(O)c1sccc1Cl
InChIInChI=1S/C7H9ClOS/c1-7(2,9)6-5(8)3-4-10-6/h3-4,9H,1-2H3
InChIKeyHHVSQVVBOOBERI-UHFFFAOYSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorothiophen-2-yl)pentan-2-ol
CID 107359110
2-(3-chlorothiophen-2-yl)propan-2-amine;hydrochloride
CID 23622414
1-(3-chlorothiophen-2-yl)-1-phenylethanol
CID 107358959
1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol
CID 107358966
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
2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
CID 107358997
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine
CID 107359274
2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol
CID 107361168
1-(3-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol
CID 107358970
3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol
CID 107360733

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)propan-2-ol?
The IUPAC name of 2-(3-chlorothiophen-2-yl)propan-2-ol (CID 107358974) is 2-(3-chlorothiophen-2-yl)propan-2-ol.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)propan-2-ol?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)propan-2-ol is CC(C)(O)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)propan-2-ol?
The InChIKey is HHVSQVVBOOBERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClOS/c1-7(2,9)6-5(8)3-4-10-6/h3-4,9H,1-2H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)propan-2-ol?
2-(3-chlorothiophen-2-yl)propan-2-ol has a molecular weight of 176.67 g/mol, XLogP of 2.63, 1 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)propan-2-ol is sourced from PubChem (CID 107358974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).