[3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol

C9H11ClO2S — CID 116930330

IUPAC[3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol
SMILESOCC1(Cc2ccc(Cl)s2)COC1
InChIInChI=1S/C9H11ClO2S/c10-8-2-1-7(13-8)3-9(4-11)5-12-6-9/h1-2,11H,3-6H2
InChIKeyGFEGLJZZECUPSG-UHFFFAOYSA-N
MW218.70 g/mol
LogP1.95
Rot. Bonds3

About [3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol

[3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol (PubChem CID 116930330) has the molecular formula C9H11ClO2S and a molecular weight of 218.70 g/mol. Its IUPAC name is [3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol
PubChem CID116930330
Molecular FormulaC9H11ClO2S
Molecular Weight218.70 g/mol
Exact Mass218.02
IUPAC Name[3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol
SMILESOCC1(Cc2ccc(Cl)s2)COC1
InChIInChI=1S/C9H11ClO2S/c10-8-2-1-7(13-8)3-9(4-11)5-12-6-9/h1-2,11H,3-6H2
InChIKeyGFEGLJZZECUPSG-UHFFFAOYSA-N
XLogP1.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-chlorothiophen-2-yl)methyl]cyclopropyl]methanol
CID 66025210
3-(bromomethyl)-3-[(5-chlorothiophen-2-yl)methyl]oxane
CID 66042669
3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol
CID 65146101
methyl 3-[(5-chlorothiophen-2-yl)methyl]oxetane-3-carboxylate
CID 116930219
1-[(5-chlorothiophen-2-yl)methyl]cycloheptan-1-ol
CID 65147193
3-[(5-chlorothiophen-2-yl)methyl]-4-oxooxane-3-carboxylic acid
CID 106469997
2-[(5-chlorothiophen-2-yl)methyl]thiolane-2-carboxylic acid
CID 83173851
[3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol
CID 116930381
[4-[(5-ethylthiophen-2-yl)methyl]oxan-4-yl]methanol
CID 66023872
[1-[(5-chlorothiophen-2-yl)methylamino]cyclopropyl]methanol
CID 115763041
2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750264
4-[(5-chlorothiophen-2-yl)methyl]oxepan-4-amine
CID 65076621

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol (CID 116930330) is [3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol is OCC1(Cc2ccc(Cl)s2)COC1.
What is the InChIKey of [3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol?
The InChIKey is GFEGLJZZECUPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2S/c10-8-2-1-7(13-8)3-9(4-11)5-12-6-9/h1-2,11H,3-6H2.
What are the key properties of [3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol?
[3-[(5-chlorothiophen-2-yl)methyl]oxetan-3-yl]methanol has a molecular weight of 218.70 g/mol, XLogP of 1.95, 3 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]oxetan-3-yl]methanol is sourced from PubChem (CID 116930330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).