2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile

C16H15NO2 — CID 107712429

IUPAC2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(Oc2ccccc2CCO)c1
InChIInChI=1S/C16H15NO2/c1-12-6-7-14(11-17)16(10-12)19-15-5-3-2-4-13(15)8-9-18/h2-7,10,18H,8-9H2,1H3
InChIKeyJDIYKDJJGWRJMJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.19
Rot. Bonds4

About 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile

2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile (PubChem CID 107712429) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile
PubChem CID107712429
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(Oc2ccccc2CCO)c1
InChIInChI=1S/C16H15NO2/c1-12-6-7-14(11-17)16(10-12)19-15-5-3-2-4-13(15)8-9-18/h2-7,10,18H,8-9H2,1H3
InChIKeyJDIYKDJJGWRJMJ-UHFFFAOYSA-N
XLogP3.19
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol
CID 70462198
2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol
CID 107926570
2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile
CID 107712408
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107712390
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzenecarbothioamide
CID 107712493
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide
CID 107713704
2-(2-tert-butylphenoxy)-4-methylbenzonitrile
CID 63510539
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
CID 63511560
2-(2-amino-5-methylphenoxy)benzonitrile
CID 43363961
2-(4-chloronaphthalen-1-yl)oxy-4-methylbenzonitrile
CID 63514488
2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile
CID 107712411
2-(2,4-difluorophenoxy)-4-methylbenzonitrile
CID 62303313

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile?
The IUPAC name of 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile (CID 107712429) is 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile?
The canonical SMILES for 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile is Cc1ccc(C#N)c(Oc2ccccc2CCO)c1.
What is the InChIKey of 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile?
The InChIKey is JDIYKDJJGWRJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-6-7-14(11-17)16(10-12)19-15-5-3-2-4-13(15)8-9-18/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile?
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile is sourced from PubChem (CID 107712429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).