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

C9H13ClO2S — CID 107359188

IUPAC2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol
SMILESCOC(C)C(C)(O)c1sccc1Cl
InChIInChI=1S/C9H13ClO2S/c1-6(12-3)9(2,11)8-7(10)4-5-13-8/h4-6,11H,1-3H3
InChIKeyIJGIKDRDWIEOHT-UHFFFAOYSA-N
MW220.72 g/mol
LogP2.64
Rot. Bonds3

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

2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol (PubChem CID 107359188) has the molecular formula C9H13ClO2S and a molecular weight of 220.72 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol
PubChem CID107359188
Molecular FormulaC9H13ClO2S
Molecular Weight220.72 g/mol
Exact Mass220.03
IUPAC Name2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol
SMILESCOC(C)C(C)(O)c1sccc1Cl
InChIInChI=1S/C9H13ClO2S/c1-6(12-3)9(2,11)8-7(10)4-5-13-8/h4-6,11H,1-3H3
InChIKeyIJGIKDRDWIEOHT-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorothiophen-2-yl)propan-2-ol
CID 107358974
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol
CID 107358992
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-amine;hydrochloride
CID 23622414
3-amino-2-(3-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol
CID 107360733
1-(4-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethanol
CID 107358966
1-(3-chlorothiophen-2-yl)-1-phenylethanol
CID 107358959
2-(3-chlorothiophen-2-yl)-2-methylpropanoic acid
CID 103845907
2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
CID 107358997
3-(3-chlorothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 80531932
1-(3-chlorothiophen-2-yl)-2-methoxy-3,3-dimethylbutan-1-one
CID 107359452

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol (CID 107359188) is 2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol is COC(C)C(C)(O)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol?
The InChIKey is IJGIKDRDWIEOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClO2S/c1-6(12-3)9(2,11)8-7(10)4-5-13-8/h4-6,11H,1-3H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol?
2-(3-chlorothiophen-2-yl)-3-methoxybutan-2-ol has a molecular weight of 220.72 g/mol, XLogP of 2.64, 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)-3-methoxybutan-2-ol is sourced from PubChem (CID 107359188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).