thiolan-3-yl-(2,4,5-trimethylphenyl)methanol

C14H20OS — CID 105103601

IUPACthiolan-3-yl-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2CCSC2)cc1C
InChIInChI=1S/C14H20OS/c1-9-6-11(3)13(7-10(9)2)14(15)12-4-5-16-8-12/h6-7,12,14-15H,4-5,8H2,1-3H3
InChIKeyCSBGTURNXZAXGK-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.40
Rot. Bonds2

About thiolan-3-yl-(2,4,5-trimethylphenyl)methanol

thiolan-3-yl-(2,4,5-trimethylphenyl)methanol (PubChem CID 105103601) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is thiolan-3-yl-(2,4,5-trimethylphenyl)methanol.

Molecular Properties

Compound Namethiolan-3-yl-(2,4,5-trimethylphenyl)methanol
PubChem CID105103601
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Namethiolan-3-yl-(2,4,5-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)C2CCSC2)cc1C
InChIInChI=1S/C14H20OS/c1-9-6-11(3)13(7-10(9)2)14(15)12-4-5-16-8-12/h6-7,12,14-15H,4-5,8H2,1-3H3
InChIKeyCSBGTURNXZAXGK-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105078522
piperidin-4-yl-(2,4,5-trimethylphenyl)methanol
CID 80503850
2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol
CID 105103480
(2,4-dimethoxyphenyl)-(thiolan-3-yl)methanol
CID 105096043
2-[hydroxy(thiolan-3-yl)methyl]phenol
CID 115027036
(2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol
CID 131186478
(3,3-difluorocyclopentyl)-(2,4,5-trimethylphenyl)methanol
CID 114215811
6-bicyclo[3.1.0]hexanyl-(2,4,5-trimethylphenyl)methanol
CID 115806982
(2-amino-5-methylphenyl)-(thian-3-yl)methanol
CID 105499567
1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140321
(2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol
CID 105484688
(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105111122

Frequently Asked Questions

What is the IUPAC name of thiolan-3-yl-(2,4,5-trimethylphenyl)methanol?
The IUPAC name of thiolan-3-yl-(2,4,5-trimethylphenyl)methanol (CID 105103601) is thiolan-3-yl-(2,4,5-trimethylphenyl)methanol.
What is the SMILES notation for thiolan-3-yl-(2,4,5-trimethylphenyl)methanol?
The canonical SMILES for thiolan-3-yl-(2,4,5-trimethylphenyl)methanol is Cc1cc(C)c(C(O)C2CCSC2)cc1C.
What is the InChIKey of thiolan-3-yl-(2,4,5-trimethylphenyl)methanol?
The InChIKey is CSBGTURNXZAXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-9-6-11(3)13(7-10(9)2)14(15)12-4-5-16-8-12/h6-7,12,14-15H,4-5,8H2,1-3H3.
What are the key properties of thiolan-3-yl-(2,4,5-trimethylphenyl)methanol?
thiolan-3-yl-(2,4,5-trimethylphenyl)methanol has a molecular weight of 236.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiolan-3-yl-(2,4,5-trimethylphenyl)methanol is sourced from PubChem (CID 105103601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).