[6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol

C10H13ClO2S — CID 131052682

IUPAC[6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol
SMILESOCC1CCCC(c2ccsc2Cl)O1
InChIInChI=1S/C10H13ClO2S/c11-10-8(4-5-14-10)9-3-1-2-7(6-12)13-9/h4-5,7,9,12H,1-3,6H2
InChIKeyVHHZNJDXHYIZNF-UHFFFAOYSA-N
MW232.73 g/mol
LogP3.00
Rot. Bonds2

About [6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol

[6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol (PubChem CID 131052682) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is [6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol.

Molecular Properties

Compound Name[6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol
PubChem CID131052682
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Name[6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol
SMILESOCC1CCCC(c2ccsc2Cl)O1
InChIInChI=1S/C10H13ClO2S/c11-10-8(4-5-14-10)9-3-1-2-7(6-12)13-9/h4-5,7,9,12H,1-3,6H2
InChIKeyVHHZNJDXHYIZNF-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(3-chlorothiophen-2-yl)oxan-2-yl]methanol
CID 127013581
6-(2-chlorothiophen-3-yl)oxane-2-carbaldehyde
CID 131113761
[6-(3-bromofuran-2-yl)oxan-2-yl]methanol
CID 130584323
(2-chlorothiophen-3-yl)methanol
CID 18938072
[2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine
CID 131187292
[6-(1,3-thiazol-2-yl)oxan-2-yl]methanamine
CID 130583812
trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol
CID 130698269
(2S,6S)-6-(hydroxymethyl)oxane-2-carbonitrile
CID 130992933
1-[2-(2-chlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine
CID 130679836
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
2-(2-chlorothiophen-3-yl)-1-cyclohexylethanone
CID 164651092
1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine
CID 130631226

Frequently Asked Questions

What is the IUPAC name of [6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol?
The IUPAC name of [6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol (CID 131052682) is [6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol.
What is the SMILES notation for [6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol?
The canonical SMILES for [6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol is OCC1CCCC(c2ccsc2Cl)O1.
What is the InChIKey of [6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol?
The InChIKey is VHHZNJDXHYIZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c11-10-8(4-5-14-10)9-3-1-2-7(6-12)13-9/h4-5,7,9,12H,1-3,6H2.
What are the key properties of [6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol?
[6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol has a molecular weight of 232.73 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chlorothiophen-3-yl)oxan-2-yl]methanol is sourced from PubChem (CID 131052682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).