[3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol

C12H16O4S — CID 117035253

IUPAC[3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol
SMILESCOc1ccc(OC)c(SC2(CO)COC2)c1
InChIInChI=1S/C12H16O4S/c1-14-9-3-4-10(15-2)11(5-9)17-12(6-13)7-16-8-12/h3-5,13H,6-8H2,1-2H3
InChIKeyHWUOFEOPIQXYGV-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.56
Rot. Bonds5

About [3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol

[3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol (PubChem CID 117035253) has the molecular formula C12H16O4S and a molecular weight of 256.32 g/mol. Its IUPAC name is [3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol
PubChem CID117035253
Molecular FormulaC12H16O4S
Molecular Weight256.32 g/mol
Exact Mass256.08
IUPAC Name[3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol
SMILESCOc1ccc(OC)c(SC2(CO)COC2)c1
InChIInChI=1S/C12H16O4S/c1-14-9-3-4-10(15-2)11(5-9)17-12(6-13)7-16-8-12/h3-5,13H,6-8H2,1-2H3
InChIKeyHWUOFEOPIQXYGV-UHFFFAOYSA-N
XLogP1.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748
3-[(2,5-dimethoxyphenyl)methyl]oxetane-3-carboxylic acid
CID 116930077
[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine
CID 116944913
3-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]oxetan-3-ol
CID 156543524
3-amino-3-(2,5-dimethoxyphenyl)sulfanylpropanoic acid
CID 117034749
2-(2,5-dimethoxyphenyl)sulfanylacetate
CID 6928078
2-[(2,4-dimethoxyphenyl)-(2-hydroxyethylsulfanyl)methyl]sulfanylethanol
CID 102497342
[3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944776
[3-[amino-(2-chloro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944825
1-[(2,5-dimethoxyphenyl)sulfanylmethyl]piperazine
CID 117033913
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921076
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol?
The IUPAC name of [3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol (CID 117035253) is [3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol.
What is the SMILES notation for [3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol?
The canonical SMILES for [3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol is COc1ccc(OC)c(SC2(CO)COC2)c1.
What is the InChIKey of [3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol?
The InChIKey is HWUOFEOPIQXYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4S/c1-14-9-3-4-10(15-2)11(5-9)17-12(6-13)7-16-8-12/h3-5,13H,6-8H2,1-2H3.
What are the key properties of [3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol?
[3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol has a molecular weight of 256.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol is sourced from PubChem (CID 117035253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).