3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol

C9H11ClO2S — CID 65146101

IUPAC3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol
SMILESOC1(Cc2ccc(Cl)s2)CCOC1
InChIInChI=1S/C9H11ClO2S/c10-8-2-1-7(13-8)5-9(11)3-4-12-6-9/h1-2,11H,3-6H2
InChIKeyWXYHSGNWSQHAIZ-UHFFFAOYSA-N
MW218.70 g/mol
LogP2.10
Rot. Bonds2

About 3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol

3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol (PubChem CID 65146101) has the molecular formula C9H11ClO2S and a molecular weight of 218.70 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol
PubChem CID65146101
Molecular FormulaC9H11ClO2S
Molecular Weight218.70 g/mol
Exact Mass218.02
IUPAC Name3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol
SMILESOC1(Cc2ccc(Cl)s2)CCOC1
InChIInChI=1S/C9H11ClO2S/c10-8-2-1-7(13-8)5-9(11)3-4-12-6-9/h1-2,11H,3-6H2
InChIKeyWXYHSGNWSQHAIZ-UHFFFAOYSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]cycloheptan-1-ol
CID 65147193
3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol
CID 65145520
3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol
CID 65145994
[3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol
CID 116930330
4-[(5-chlorothiophen-2-yl)methyl]oxepan-4-amine
CID 65076621
3-(bromomethyl)-3-[(5-chlorothiophen-2-yl)methyl]oxane
CID 66042669
3-benzyloxolan-3-ol
CID 63332039
[1-[(5-chlorothiophen-2-yl)methyl]cyclopropyl]methanol
CID 66025210
3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol
CID 65146833
4-[(5-chlorothiophen-2-yl)methyl]azepan-4-ol
CID 103982903
3-[(5-chlorothiophen-2-yl)methyl]-4-oxooxane-3-carboxylic acid
CID 106469997
3-[[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]methyl]oxolan-3-ol
CID 106099922

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol (CID 65146101) is 3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol is OC1(Cc2ccc(Cl)s2)CCOC1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol?
The InChIKey is WXYHSGNWSQHAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2S/c10-8-2-1-7(13-8)5-9(11)3-4-12-6-9/h1-2,11H,3-6H2.
What are the key properties of 3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol?
3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol has a molecular weight of 218.70 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol is sourced from PubChem (CID 65146101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).