2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol

C16H24OS — CID 80621626

IUPAC2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol
SMILESCC(C)c1ccc(CC(O)C2CCCCS2)cc1
InChIInChI=1S/C16H24OS/c1-12(2)14-8-6-13(7-9-14)11-15(17)16-5-3-4-10-18-16/h6-9,12,15-17H,3-5,10-11H2,1-2H3
InChIKeyGBQWTFVZZPJESS-UHFFFAOYSA-N
MW264.43 g/mol
LogP4.00
Rot. Bonds4

About 2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol

2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol (PubChem CID 80621626) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol
PubChem CID80621626
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol
SMILESCC(C)c1ccc(CC(O)C2CCCCS2)cc1
InChIInChI=1S/C16H24OS/c1-12(2)14-8-6-13(7-9-14)11-15(17)16-5-3-4-10-18-16/h6-9,12,15-17H,3-5,10-11H2,1-2H3
InChIKeyGBQWTFVZZPJESS-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-iodophenyl)-1-(thian-2-yl)ethanol
CID 80623165
[2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255638
2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol
CID 80623267
1-cyclohexyl-2-(4-propan-2-ylphenyl)ethanol
CID 63410841
[(4-propan-2-ylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255964
2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol
CID 107308228
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089082
2-(4-ethylphenyl)-1-(thian-2-yl)ethanamine
CID 80626451
2-(4-chlorophenyl)-1-(thian-2-yl)ethanamine
CID 80627768
2-pyridin-2-yl-1-(thian-2-yl)ethanol
CID 80622096
3-methyl-1-(thian-2-yl)pentan-1-ol
CID 80621983
[(4-propan-2-ylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255613

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol?
The IUPAC name of 2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol (CID 80621626) is 2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol is CC(C)c1ccc(CC(O)C2CCCCS2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol?
The InChIKey is GBQWTFVZZPJESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS/c1-12(2)14-8-6-13(7-9-14)11-15(17)16-5-3-4-10-18-16/h6-9,12,15-17H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol?
2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol has a molecular weight of 264.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol is sourced from PubChem (CID 80621626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).