4-(2-ethylhexylsulfanyl)phenol

C14H22OS — CID 63428168

IUPAC4-(2-ethylhexylsulfanyl)phenol
SMILESCCCCC(CC)CSc1ccc(O)cc1
InChIInChI=1S/C14H22OS/c1-3-5-6-12(4-2)11-16-14-9-7-13(15)8-10-14/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyQSGMZAZITYIFQU-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.70
Rot. Bonds7

About 4-(2-ethylhexylsulfanyl)phenol

4-(2-ethylhexylsulfanyl)phenol (PubChem CID 63428168) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-(2-ethylhexylsulfanyl)phenol.

Molecular Properties

Compound Name4-(2-ethylhexylsulfanyl)phenol
PubChem CID63428168
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name4-(2-ethylhexylsulfanyl)phenol
SMILESCCCCC(CC)CSc1ccc(O)cc1
InChIInChI=1S/C14H22OS/c1-3-5-6-12(4-2)11-16-14-9-7-13(15)8-10-14/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyQSGMZAZITYIFQU-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-ethylhexylsulfanyl)phenyl]ethanol
CID 64665322
1,4-bis[(E)-2-[4-(2-ethylpentylsulfanyl)phenyl]ethenyl]benzene
CID 101168442
1-[3-(2-ethylhexylsulfanyl)phenyl]-N-methylmethanamine
CID 66348605
3-(heptan-3-ylsulfanylmethyl)heptane
CID 134593171
4-hexan-2-ylphenol
CID 12579179
(3S)-3-[[(2R)-2-ethylhexyl]sulfanylmethyl]heptane
CID 92525109
2-(2-ethylhexylsulfanyl)pyridin-3-amine
CID 63462980
4-(2-butylheptyl)phenol
CID 118370129
4-(4-pentylsulfanylphenyl)phenol
CID 70386917
2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 68964957
4-(4-methyloctan-3-yl)phenol
CID 91753369
4-(2-butyltetradecyl)phenol
CID 70630098

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexylsulfanyl)phenol?
The IUPAC name of 4-(2-ethylhexylsulfanyl)phenol (CID 63428168) is 4-(2-ethylhexylsulfanyl)phenol.
What is the SMILES notation for 4-(2-ethylhexylsulfanyl)phenol?
The canonical SMILES for 4-(2-ethylhexylsulfanyl)phenol is CCCCC(CC)CSc1ccc(O)cc1.
What is the InChIKey of 4-(2-ethylhexylsulfanyl)phenol?
The InChIKey is QSGMZAZITYIFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-3-5-6-12(4-2)11-16-14-9-7-13(15)8-10-14/h7-10,12,15H,3-6,11H2,1-2H3.
What are the key properties of 4-(2-ethylhexylsulfanyl)phenol?
4-(2-ethylhexylsulfanyl)phenol has a molecular weight of 238.40 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexylsulfanyl)phenol is sourced from PubChem (CID 63428168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).