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

C8H11ClO2S — CID 107358992

IUPAC2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol
SMILESCOCC(C)(O)c1sccc1Cl
InChIInChI=1S/C8H11ClO2S/c1-8(10,5-11-2)7-6(9)3-4-12-7/h3-4,10H,5H2,1-2H3
InChIKeyLPPNRRKLTLJNNU-UHFFFAOYSA-N
MW206.69 g/mol
LogP2.26
Rot. Bonds3

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

2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol (PubChem CID 107358992) has the molecular formula C8H11ClO2S and a molecular weight of 206.69 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol
PubChem CID107358992
Molecular FormulaC8H11ClO2S
Molecular Weight206.69 g/mol
Exact Mass206.02
IUPAC Name2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol
SMILESCOCC(C)(O)c1sccc1Cl
InChIInChI=1S/C8H11ClO2S/c1-8(10,5-11-2)7-6(9)3-4-12-7/h3-4,10H,5H2,1-2H3
InChIKeyLPPNRRKLTLJNNU-UHFFFAOYSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.69
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-amine
CID 107359274
2-(3-chlorothiophen-2-yl)pentan-2-ol
CID 107359110
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)-3-methoxybutan-2-ol
CID 107359188
2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol
CID 107361168
2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 107359205
2-(3-chlorothiophen-2-yl)propan-2-amine;hydrochloride
CID 23622414
1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol
CID 107358966
1-(3-chlorothiophen-2-yl)-1-phenylethanol
CID 107358959
ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol
CID 156647383
2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid
CID 103845907

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol (CID 107358992) is 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol is COCC(C)(O)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol?
The InChIKey is LPPNRRKLTLJNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO2S/c1-8(10,5-11-2)7-6(9)3-4-12-7/h3-4,10H,5H2,1-2H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol?
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol has a molecular weight of 206.69 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol is sourced from PubChem (CID 107358992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).