2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol

C17H20OS — CID 60981441

IUPAC2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CSc2ccccc2)cc1
InChIInChI=1S/C17H20OS/c1-13(2)14-8-10-15(11-9-14)17(18)12-19-16-6-4-3-5-7-16/h3-11,13,17-18H,12H2,1-2H3
InChIKeyOZHRCTNFUFNHKY-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.64
Rot. Bonds5

About 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol

2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 60981441) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol
PubChem CID60981441
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CSc2ccccc2)cc1
InChIInChI=1S/C17H20OS/c1-13(2)14-8-10-15(11-9-14)17(18)12-19-16-6-4-3-5-7-16/h3-11,13,17-18H,12H2,1-2H3
InChIKeyOZHRCTNFUFNHKY-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-phenylsulfanylethanol
CID 4786904
2-(4-aminophenyl)sulfanyl-1-phenylethanol
CID 51062435
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64621935
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanol
CID 65142018
1-phenylsulfanyl-3-(4-propan-2-ylanilino)propan-2-ol
CID 2725826
2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol
CID 101079364
1-(4-aminophenyl)-2-(4-chlorophenyl)sulfanylethanol
CID 62265413
(1S)-2-(4-methylphenyl)sulfanyl-1-naphthalen-2-ylethanol
CID 102244244
3-methyl-1-phenylsulfanylpentan-2-ol
CID 79444974
2-(3-chlorophenyl)sulfanyl-1-(4-methylphenyl)ethanol
CID 66147302
cumene;hydrogen peroxide
CID 21225480
2-methylsulfanyl-1-(4-phenylphenyl)ethanol
CID 15033009

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol (CID 60981441) is 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)CSc2ccccc2)cc1.
What is the InChIKey of 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is OZHRCTNFUFNHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-13(2)14-8-10-15(11-9-14)17(18)12-19-16-6-4-3-5-7-16/h3-11,13,17-18H,12H2,1-2H3.
What are the key properties of 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol?
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 272.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 60981441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).