1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol

C10H15ClO2S — CID 65149389

IUPAC1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol
SMILESCCC(O)(COC)Cc1ccc(Cl)s1
InChIInChI=1S/C10H15ClO2S/c1-3-10(12,7-13-2)6-8-4-5-9(11)14-8/h4-5,12H,3,6-7H2,1-2H3
InChIKeyFFQMLFISBBMMPK-UHFFFAOYSA-N
MW234.75 g/mol
LogP2.73
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol

1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol (PubChem CID 65149389) has the molecular formula C10H15ClO2S and a molecular weight of 234.75 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol
PubChem CID65149389
Molecular FormulaC10H15ClO2S
Molecular Weight234.75 g/mol
Exact Mass234.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol
SMILESCCC(O)(COC)Cc1ccc(Cl)s1
InChIInChI=1S/C10H15ClO2S/c1-3-10(12,7-13-2)6-8-4-5-9(11)14-8/h4-5,12H,3,6-7H2,1-2H3
InChIKeyFFQMLFISBBMMPK-UHFFFAOYSA-N
XLogP2.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol
CID 102617315
2-[(5-chlorothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62717993
3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 66025156
2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine
CID 112566022
2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol
CID 106508322
1-(5-chlorothiophen-2-yl)-2-methylheptan-2-ol
CID 80557726
1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol
CID 103465512
1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine
CID 62619974
2-chloro-5-(2-ethyl-2-methylheptyl)thiophene
CID 130455839
1-(5-chlorothiophen-2-yl)-2-(5-methylthiophen-2-yl)propan-2-ol
CID 114910568
4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol
CID 82126271
1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol
CID 103465604

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol (CID 65149389) is 1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol is CCC(O)(COC)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol?
The InChIKey is FFQMLFISBBMMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2S/c1-3-10(12,7-13-2)6-8-4-5-9(11)14-8/h4-5,12H,3,6-7H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol?
1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol has a molecular weight of 234.75 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol is sourced from PubChem (CID 65149389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).