4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol

C15H24OS — CID 82920228

IUPAC4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol
SMILESCCC(CC)CC(O)CSc1ccc(C)cc1
InChIInChI=1S/C15H24OS/c1-4-13(5-2)10-14(16)11-17-15-8-6-12(3)7-9-15/h6-9,13-14,16H,4-5,10-11H2,1-3H3
InChIKeyBDIXWEDWQSWOTJ-UHFFFAOYSA-N
MW252.42 g/mol
LogP4.27
Rot. Bonds7

About 4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol

4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol (PubChem CID 82920228) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is 4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol.

Molecular Properties

Compound Name4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol
PubChem CID82920228
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol
SMILESCCC(CC)CC(O)CSc1ccc(C)cc1
InChIInChI=1S/C15H24OS/c1-4-13(5-2)10-14(16)11-17-15-8-6-12(3)7-9-15/h6-9,13-14,16H,4-5,10-11H2,1-3H3
InChIKeyBDIXWEDWQSWOTJ-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-methylphenyl)sulfanylheptan-2-ol
CID 102244246
(2S)-1-(4-methylphenyl)sulfanyldodecan-2-ol
CID 11232092
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66064590
1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66066361
1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
CID 60722243
(2S)-3-methyl-1-(4-methylphenyl)sulfanylbutan-2-ol
CID 11401570
5-ethyl-1-(4-methylphenyl)heptan-3-ol
CID 105122523
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 106867406
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065371
1-(4-methylphenyl)sulfanylhept-6-en-2-ol
CID 66063998

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol?
The IUPAC name of 4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol (CID 82920228) is 4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol.
What is the SMILES notation for 4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol?
The canonical SMILES for 4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol is CCC(CC)CC(O)CSc1ccc(C)cc1.
What is the InChIKey of 4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol?
The InChIKey is BDIXWEDWQSWOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS/c1-4-13(5-2)10-14(16)11-17-15-8-6-12(3)7-9-15/h6-9,13-14,16H,4-5,10-11H2,1-3H3.
What are the key properties of 4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol?
4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol has a molecular weight of 252.42 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol is sourced from PubChem (CID 82920228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).