[3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol

C11H13ClO2S — CID 117035262

IUPAC[3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol
SMILESCc1cc(SC2(CO)COC2)ccc1Cl
InChIInChI=1S/C11H13ClO2S/c1-8-4-9(2-3-10(8)12)15-11(5-13)6-14-7-11/h2-4,13H,5-7H2,1H3
InChIKeySGIOVUVLERLVDG-UHFFFAOYSA-N
MW244.74 g/mol
LogP2.50
Rot. Bonds3

About [3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol

[3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol (PubChem CID 117035262) has the molecular formula C11H13ClO2S and a molecular weight of 244.74 g/mol. Its IUPAC name is [3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol
PubChem CID117035262
Molecular FormulaC11H13ClO2S
Molecular Weight244.74 g/mol
Exact Mass244.03
IUPAC Name[3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol
SMILESCc1cc(SC2(CO)COC2)ccc1Cl
InChIInChI=1S/C11H13ClO2S/c1-8-4-9(2-3-10(8)12)15-11(5-13)6-14-7-11/h2-4,13H,5-7H2,1H3
InChIKeySGIOVUVLERLVDG-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol
CID 117035245
[1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine
CID 117034858
1-chloro-4-hydroxysulfanyl-2-methylbenzene
CID 67557252
[3-(2,5-dimethoxyphenyl)sulfanyloxetan-3-yl]methanol
CID 117035253
N-(4-chloro-3-methylphenyl)sulfanylmethanamine
CID 117033794
(4-chloro-3-methylphenyl) thiocyanate
CID 117033952
3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine
CID 117034360
methyl 2-(4-chloro-3-methylphenyl)sulfanyl-2-methylpropanoate
CID 117034054
1-(4-methoxy-3-methylphenyl)sulfanylcyclopropane-1-carboxylic acid
CID 117032210
(3,4-dimethylphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922540
1-[(4-chloro-3-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 165484489
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878155

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol?
The IUPAC name of [3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol (CID 117035262) is [3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol.
What is the SMILES notation for [3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol?
The canonical SMILES for [3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol is Cc1cc(SC2(CO)COC2)ccc1Cl.
What is the InChIKey of [3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol?
The InChIKey is SGIOVUVLERLVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2S/c1-8-4-9(2-3-10(8)12)15-11(5-13)6-14-7-11/h2-4,13H,5-7H2,1H3.
What are the key properties of [3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol?
[3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol has a molecular weight of 244.74 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-3-methylphenyl)sulfanyloxetan-3-yl]methanol is sourced from PubChem (CID 117035262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).