(2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol

C10H13ClO2S — CID 130655294

IUPAC(2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol
SMILESCC1CC(C(O)c2ccsc2Cl)CO1
InChIInChI=1S/C10H13ClO2S/c1-6-4-7(5-13-6)9(12)8-2-3-14-10(8)11/h2-3,6-7,9,12H,4-5H2,1H3
InChIKeyZGADTDOXIFJKNQ-UHFFFAOYSA-N
MW232.73 g/mol
LogP2.86
Rot. Bonds2

About (2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol

(2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol (PubChem CID 130655294) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol
PubChem CID130655294
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Name(2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol
SMILESCC1CC(C(O)c2ccsc2Cl)CO1
InChIInChI=1S/C10H13ClO2S/c1-6-4-7(5-13-6)9(12)8-2-3-14-10(8)11/h2-3,6-7,9,12H,4-5H2,1H3
InChIKeyZGADTDOXIFJKNQ-UHFFFAOYSA-N
XLogP2.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826660
(2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol
CID 131186478
(5-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 115820673
(3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine
CID 114825332
(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115823707
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methyloxolan-3-yl)methanol
CID 114826706
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826691
(3-ethylphenyl)-(5-methyloxolan-3-yl)methanol
CID 115823866
(2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol
CID 130713187
3-(2-chlorothiophen-3-yl)butan-2-ol
CID 130632241
1-(5-methyloxolan-3-yl)propan-1-ol
CID 115787725
(3-bromo-4-fluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826764

Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol?
The IUPAC name of (2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol (CID 130655294) is (2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol?
The canonical SMILES for (2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol is CC1CC(C(O)c2ccsc2Cl)CO1.
What is the InChIKey of (2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol?
The InChIKey is ZGADTDOXIFJKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c1-6-4-7(5-13-6)9(12)8-2-3-14-10(8)11/h2-3,6-7,9,12H,4-5H2,1H3.
What are the key properties of (2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol?
(2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol has a molecular weight of 232.73 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol is sourced from PubChem (CID 130655294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).