1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol

C18H22OS — CID 63814608

IUPAC1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol
SMILESCC(O)c1ccccc1Sc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22OS/c1-13(19)16-7-5-6-8-17(16)20-15-11-9-14(10-12-15)18(2,3)4/h5-13,19H,1-4H3
InChIKeyJBICNVNIWOVTEQ-UHFFFAOYSA-N
MW286.44 g/mol
LogP5.19
Rot. Bonds3

About 1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol

1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol (PubChem CID 63814608) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol
PubChem CID63814608
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol
SMILESCC(O)c1ccccc1Sc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22OS/c1-13(19)16-7-5-6-8-17(16)20-15-11-9-14(10-12-15)18(2,3)4/h5-13,19H,1-4H3
InChIKeyJBICNVNIWOVTEQ-UHFFFAOYSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol
CID 103960748
(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 78952059
(1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
CID 78951725
1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814615
(1S)-1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 78951586
1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 55238714
2-(4-tert-butylphenyl)sulfanylbenzonitrile
CID 15643695
(1R)-1-(2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952097
(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 63813079
(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
CID 63813984
1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol
CID 15115029
1-[2-(4-tert-butylphenoxy)phenyl]ethanol
CID 43510250

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol (CID 63814608) is 1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol is CC(O)c1ccccc1Sc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol?
The InChIKey is JBICNVNIWOVTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c1-13(19)16-7-5-6-8-17(16)20-15-11-9-14(10-12-15)18(2,3)4/h5-13,19H,1-4H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol?
1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol has a molecular weight of 286.44 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 63814608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).