[4-(4-tert-butylphenyl)sulfanylphenyl]methanol

C17H20OS — CID 63814755

IUPAC[4-(4-tert-butylphenyl)sulfanylphenyl]methanol
SMILESCC(C)(C)c1ccc(Sc2ccc(CO)cc2)cc1
InChIInChI=1S/C17H20OS/c1-17(2,3)14-6-10-16(11-7-14)19-15-8-4-13(12-18)5-9-15/h4-11,18H,12H2,1-3H3
InChIKeyYNYXCPLYNHYZNC-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.63
Rot. Bonds3

About [4-(4-tert-butylphenyl)sulfanylphenyl]methanol

[4-(4-tert-butylphenyl)sulfanylphenyl]methanol (PubChem CID 63814755) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)sulfanylphenyl]methanol
PubChem CID63814755
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name[4-(4-tert-butylphenyl)sulfanylphenyl]methanol
SMILESCC(C)(C)c1ccc(Sc2ccc(CO)cc2)cc1
InChIInChI=1S/C17H20OS/c1-17(2,3)14-6-10-16(11-7-14)19-15-8-4-13(12-18)5-9-15/h4-11,18H,12H2,1-3H3
InChIKeyYNYXCPLYNHYZNC-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-(4-tert-butylphenyl)sulfanylbenzene
CID 19764811
[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol
CID 63836085
[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanol
CID 113371939
[10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol
CID 23907756
1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814615
[4-(4-nitrophenyl)sulfanylphenyl]methanol
CID 63835646
5-(4-tert-butylphenyl)sulfanylfuran-2-carboxylic acid
CID 63538044
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfanylphenyl]-N-ethylaniline
CID 145347843
1-tert-butyl-4-[2-(4-tert-butylphenyl)sulfanylethylsulfanyl]benzene
CID 12781251
3-[4-[2-[4-[4-(4-tert-butylphenyl)sulfanylphenyl]phenyl]sulfanylpropan-2-yl]phenyl]propanoic acid
CID 134302410
2,2-bis[(4-tert-butylphenyl)methyl]propane-1,3-diol
CID 11057694
N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80627993

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)sulfanylphenyl]methanol?
The IUPAC name of [4-(4-tert-butylphenyl)sulfanylphenyl]methanol (CID 63814755) is [4-(4-tert-butylphenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [4-(4-tert-butylphenyl)sulfanylphenyl]methanol?
The canonical SMILES for [4-(4-tert-butylphenyl)sulfanylphenyl]methanol is CC(C)(C)c1ccc(Sc2ccc(CO)cc2)cc1.
What is the InChIKey of [4-(4-tert-butylphenyl)sulfanylphenyl]methanol?
The InChIKey is YNYXCPLYNHYZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-17(2,3)14-6-10-16(11-7-14)19-15-8-4-13(12-18)5-9-15/h4-11,18H,12H2,1-3H3.
What are the key properties of [4-(4-tert-butylphenyl)sulfanylphenyl]methanol?
[4-(4-tert-butylphenyl)sulfanylphenyl]methanol has a molecular weight of 272.41 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 63814755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).