2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile

C16H15NO2S — CID 107712411

IUPAC2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile
SMILESCSc1cccc(Oc2ccccc2CCO)c1C#N
InChIInChI=1S/C16H15NO2S/c1-20-16-8-4-7-15(13(16)11-17)19-14-6-3-2-5-12(14)9-10-18/h2-8,18H,9-10H2,1H3
InChIKeyORFMHOYYFZKWIE-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.61
Rot. Bonds5

About 2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile

2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile (PubChem CID 107712411) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile
PubChem CID107712411
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile
SMILESCSc1cccc(Oc2ccccc2CCO)c1C#N
InChIInChI=1S/C16H15NO2S/c1-20-16-8-4-7-15(13(16)11-17)19-14-6-3-2-5-12(14)9-10-18/h2-8,18H,9-10H2,1H3
InChIKeyORFMHOYYFZKWIE-UHFFFAOYSA-N
XLogP3.61
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-6-[2-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107712395
2-[2-(2-methoxyphenyl)ethylamino]-6-methylsulfanylbenzonitrile
CID 106261258
2-(2-cyano-3-methylsulfanylphenoxy)-6-fluorobenzoic acid
CID 107016315
2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile
CID 107712408
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile
CID 107712429
2-(5-bromo-2-fluorophenoxy)-6-methylsulfanylbenzonitrile
CID 114672362
2-ethylsulfanyl-6-[4-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107708779
2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol
CID 107712758
2-(3-hydroxy-5-methylphenoxy)-6-methylsulfanylbenzonitrile
CID 107680765
2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol
CID 107712955
2-(2-cyclobutylethoxy)-6-methylsulfanylbenzonitrile
CID 114157448
2-methylsulfanyl-6-(4,4,4-trifluorobutoxy)benzonitrile
CID 113385672

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile?
The IUPAC name of 2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile (CID 107712411) is 2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile?
The canonical SMILES for 2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile is CSc1cccc(Oc2ccccc2CCO)c1C#N.
What is the InChIKey of 2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile?
The InChIKey is ORFMHOYYFZKWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-20-16-8-4-7-15(13(16)11-17)19-14-6-3-2-5-12(14)9-10-18/h2-8,18H,9-10H2,1H3.
What are the key properties of 2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile?
2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile has a molecular weight of 285.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile is sourced from PubChem (CID 107712411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).