1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol

C16H26OS — CID 64665322

IUPAC1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol
SMILESCCCCC(CC)CSc1cccc(C(C)O)c1
InChIInChI=1S/C16H26OS/c1-4-6-8-14(5-2)12-18-16-10-7-9-15(11-16)13(3)17/h7,9-11,13-14,17H,4-6,8,12H2,1-3H3
InChIKeyJNOKFMDYVRIQAU-UHFFFAOYSA-N
MW266.45 g/mol
LogP5.05
Rot. Bonds8

About 1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol

1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol (PubChem CID 64665322) has the molecular formula C16H26OS and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol
PubChem CID64665322
Molecular FormulaC16H26OS
Molecular Weight266.45 g/mol
Exact Mass266.17
IUPAC Name1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol
SMILESCCCCC(CC)CSc1cccc(C(C)O)c1
InChIInChI=1S/C16H26OS/c1-4-6-8-14(5-2)12-18-16-10-7-9-15(11-16)13(3)17/h7,9-11,13-14,17H,4-6,8,12H2,1-3H3
InChIKeyJNOKFMDYVRIQAU-UHFFFAOYSA-N
XLogP5.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-ethylhexylsulfanyl)phenyl]-N-methylmethanamine
CID 66348605
(1R)-1-(3-propylsulfanylphenyl)ethanol
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CID 63428168
4-[[3-(3-amino-1-hydroxypropyl)phenyl]sulfanylmethyl]heptan-1-ol
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1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol
CID 64665099
1-[3-(2-methylidenebutylsulfanyl)phenyl]ethanol
CID 66038314
[1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine
CID 105238335
1-(3-but-2-enylsulfanylphenyl)ethanol
CID 77055275
1-[3-(2-phenylethylsulfanyl)phenyl]ethanol
CID 64665944
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
1-[3-(1-aminoethyl)phenyl]sulfanyl-3-butoxypropan-2-ol
CID 107264416
1-[3-(pyrimidin-2-ylmethylsulfanyl)phenyl]ethanol
CID 64664474

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol (CID 64665322) is 1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol is CCCCC(CC)CSc1cccc(C(C)O)c1.
What is the InChIKey of 1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol?
The InChIKey is JNOKFMDYVRIQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OS/c1-4-6-8-14(5-2)12-18-16-10-7-9-15(11-16)13(3)17/h7,9-11,13-14,17H,4-6,8,12H2,1-3H3.
What are the key properties of 1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol?
1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol has a molecular weight of 266.45 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 64665322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).