2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol

C17H20OS — CID 134966659

IUPAC2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol
SMILESCC(C)c1ccc(SC(CO)c2ccccc2)cc1
InChIInChI=1S/C17H20OS/c1-13(2)14-8-10-16(11-9-14)19-17(12-18)15-6-4-3-5-7-15/h3-11,13,17-18H,12H2,1-2H3
InChIKeyFLOXGVQSYXIXBF-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.64
Rot. Bonds5

About 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol

2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol (PubChem CID 134966659) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol.

Molecular Properties

Compound Name2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol
PubChem CID134966659
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol
SMILESCC(C)c1ccc(SC(CO)c2ccccc2)cc1
InChIInChI=1S/C17H20OS/c1-13(2)14-8-10-16(11-9-14)19-17(12-18)15-6-4-3-5-7-15/h3-11,13,17-18H,12H2,1-2H3
InChIKeyFLOXGVQSYXIXBF-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

2-phenyl-2-phenylsulfanylethanol
CID 11264720
2-(4-chlorophenyl)sulfanyl-2-phenylethanol
CID 16735964
cumene;hydrogen peroxide
CID 21225480
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
CID 64619331
cumene;zinc
CID 159490121
cumene;2-methylpropane
CID 90828344
cumene;ethane
CID 54306132
CID 87136222
CID 87136222
cumene;2-methylpropane;propane
CID 158125037

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol?
The IUPAC name of 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol (CID 134966659) is 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol.
What is the SMILES notation for 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol?
The canonical SMILES for 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol is CC(C)c1ccc(SC(CO)c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol?
The InChIKey is FLOXGVQSYXIXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-13(2)14-8-10-16(11-9-14)19-17(12-18)15-6-4-3-5-7-15/h3-11,13,17-18H,12H2,1-2H3.
What are the key properties of 2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol?
2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol 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-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol is sourced from PubChem (CID 134966659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).