2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol

C16H24OS — CID 105103480

IUPAC2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CC2CCSCC2)cc1C
InChIInChI=1S/C16H24OS/c1-11-8-13(3)15(9-12(11)2)16(17)10-14-4-6-18-7-5-14/h8-9,14,16-17H,4-7,10H2,1-3H3
InChIKeyANITULBGEWKACO-UHFFFAOYSA-N
MW264.43 g/mol
LogP4.18
Rot. Bonds3

About 2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol

2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol (PubChem CID 105103480) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is 2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol
PubChem CID105103480
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CC2CCSCC2)cc1C
InChIInChI=1S/C16H24OS/c1-11-8-13(3)15(9-12(11)2)16(17)10-14-4-6-18-7-5-14/h8-9,14,16-17H,4-7,10H2,1-3H3
InChIKeyANITULBGEWKACO-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-2-(thian-4-yl)ethanol
CID 107516261
1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanol
CID 106682608
thiolan-3-yl-(2,4,5-trimethylphenyl)methanol
CID 105103601
2-cyclobutyl-1-(4,5-dimethoxy-2-methylphenyl)ethanol
CID 103165429
1-(4-bromo-2,5-dimethylphenyl)-2-cycloheptylethanol
CID 114458586
1-(5-chloro-2-methoxyphenyl)-2-(thian-4-yl)ethanol
CID 105092179
1-(5-bromo-2-methylphenyl)-2-cyclopropylethanol
CID 115803918
1-(5-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
CID 105377602
1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol
CID 115802584
2-cyclopentyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 62608273
1-(4-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
CID 105131232
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 115807086

Frequently Asked Questions

What is the IUPAC name of 2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol?
The IUPAC name of 2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol (CID 105103480) is 2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol.
What is the SMILES notation for 2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol?
The canonical SMILES for 2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol is Cc1cc(C)c(C(O)CC2CCSCC2)cc1C.
What is the InChIKey of 2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol?
The InChIKey is ANITULBGEWKACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS/c1-11-8-13(3)15(9-12(11)2)16(17)10-14-4-6-18-7-5-14/h8-9,14,16-17H,4-7,10H2,1-3H3.
What are the key properties of 2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol?
2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol has a molecular weight of 264.43 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol is sourced from PubChem (CID 105103480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).