3-(4-methoxy-2-methylphenyl)thiolan-3-ol

C12H16O2S — CID 79950374

IUPAC3-(4-methoxy-2-methylphenyl)thiolan-3-ol
SMILESCOc1ccc(C2(O)CCSC2)c(C)c1
InChIInChI=1S/C12H16O2S/c1-9-7-10(14-2)3-4-11(9)12(13)5-6-15-8-12/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyHCLVJPLDFYAJBP-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.33
Rot. Bonds2

About 3-(4-methoxy-2-methylphenyl)thiolan-3-ol

3-(4-methoxy-2-methylphenyl)thiolan-3-ol (PubChem CID 79950374) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)thiolan-3-ol.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)thiolan-3-ol
PubChem CID79950374
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name3-(4-methoxy-2-methylphenyl)thiolan-3-ol
SMILESCOc1ccc(C2(O)CCSC2)c(C)c1
InChIInChI=1S/C12H16O2S/c1-9-7-10(14-2)3-4-11(9)12(13)5-6-15-8-12/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyHCLVJPLDFYAJBP-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol
CID 65313647
4-ethyl-1-(4-methoxy-2-methylphenyl)cyclohexan-1-ol
CID 65313174
3-(4-methoxy-2-methylphenyl)-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171961352
3-(4-methoxyphenyl)thian-3-ol
CID 83691900
3-(2-methylphenyl)thian-3-ol
CID 83688255
3-(4-methoxy-2-methylphenyl)-2-methyloxolan-3-ol
CID 82718193
(3S)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 99610904
(3S)-3-(2-methoxyphenyl)thian-3-ol
CID 124510302
2-(1-hydroxycyclopropyl)-4-methoxy-6-methylphenol
CID 117284601
1-bromo-4-methoxy-2-methylbenzene;1-(4-methoxy-2-methylphenyl)-4-(4-methoxyphenyl)cyclohexan-1-ol;4-(4-methoxyphenyl)cyclohexan-1-one
CID 157072904
5-ethenyl-8-methoxy-3,4-dihydro-2H-1-benzothiepin-5-ol
CID 165353897
2-(4-methoxy-2-methylphenyl)-2-methylazepane
CID 79118168

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)thiolan-3-ol?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)thiolan-3-ol (CID 79950374) is 3-(4-methoxy-2-methylphenyl)thiolan-3-ol.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)thiolan-3-ol?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)thiolan-3-ol is COc1ccc(C2(O)CCSC2)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)thiolan-3-ol?
The InChIKey is HCLVJPLDFYAJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-9-7-10(14-2)3-4-11(9)12(13)5-6-15-8-12/h3-4,7,13H,5-6,8H2,1-2H3.
What are the key properties of 3-(4-methoxy-2-methylphenyl)thiolan-3-ol?
3-(4-methoxy-2-methylphenyl)thiolan-3-ol has a molecular weight of 224.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)thiolan-3-ol is sourced from PubChem (CID 79950374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).