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

C18H22OS — CID 63814615

IUPAC1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol
SMILESCC(O)c1ccc(Sc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C18H22OS/c1-13(19)14-5-9-16(10-6-14)20-17-11-7-15(8-12-17)18(2,3)4/h5-13,19H,1-4H3
InChIKeyFNBAFLPOTRDADU-UHFFFAOYSA-N
MW286.44 g/mol
LogP5.19
Rot. Bonds3

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

1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol (PubChem CID 63814615) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol
PubChem CID63814615
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol
SMILESCC(O)c1ccc(Sc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C18H22OS/c1-13(19)14-5-9-16(10-6-14)20-17-11-7-15(8-12-17)18(2,3)4/h5-13,19H,1-4H3
InChIKeyFNBAFLPOTRDADU-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-(4-tert-butylphenyl)ethanol
CID 6990572
N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfanylphenyl]-N-(4-tert-butylphenyl)-4-propan-2-ylaniline
CID 138547339
1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene
CID 167298783
1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814608
1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
1-bromo-4-(4-tert-butylphenyl)sulfanylbenzene
CID 19764811
(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
CID 78951591
[4-(4-tert-butylphenyl)sulfanylphenyl]methanol
CID 63814755
(1R)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanol
CID 63835061
1-[4-(2-methylphenyl)sulfanylphenyl]ethanol
CID 63835400
1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol
CID 20846901
(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 55238909

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol (CID 63814615) is 1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol is CC(O)c1ccc(Sc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol?
The InChIKey is FNBAFLPOTRDADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c1-13(19)14-5-9-16(10-6-14)20-17-11-7-15(8-12-17)18(2,3)4/h5-13,19H,1-4H3.
What are the key properties of 1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol?
1-[4-(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-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 63814615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).