2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile

C16H15NO2 — CID 107712408

IUPAC2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1Oc1ccccc1CCO
InChIInChI=1S/C16H15NO2/c1-12-5-4-7-14(11-17)16(12)19-15-8-3-2-6-13(15)9-10-18/h2-8,18H,9-10H2,1H3
InChIKeyKNMAPYYRAHZOKJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.19
Rot. Bonds4

About 2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile

2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile (PubChem CID 107712408) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile
PubChem CID107712408
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1Oc1ccccc1CCO
InChIInChI=1S/C16H15NO2/c1-12-5-4-7-14(11-17)16(12)19-15-8-3-2-6-13(15)9-10-18/h2-8,18H,9-10H2,1H3
InChIKeyKNMAPYYRAHZOKJ-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-hydroxyethyl)phenoxy]-4-methylbenzonitrile
CID 107712429
2-(2-fluorophenoxy)-3-methylbenzonitrile
CID 107107441
3-methyl-2-(2-propoxyphenoxy)benzonitrile
CID 107107419
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107712390
2-[2-(2-hydroxyethyl)phenoxy]-6-methylsulfanylbenzonitrile
CID 107712411
2-[2-[(2,6-dimethylphenyl)methoxy]phenyl]ethanol
CID 107713072
2-ethylsulfanyl-6-[2-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107712395
1-[2-(2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282630
ethanol;2-(2-methylphenyl)ethanol
CID 69408748
2-[2-[2-(2-methylphenyl)ethyl]phenyl]ethanol
CID 44723654
2-[2-(2-hydroxyethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 107712416
2-(2-amino-4-cyanophenoxy)-3-methylbenzonitrile
CID 107111200

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile?
The IUPAC name of 2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile (CID 107712408) is 2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile?
The canonical SMILES for 2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile is Cc1cccc(C#N)c1Oc1ccccc1CCO.
What is the InChIKey of 2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile?
The InChIKey is KNMAPYYRAHZOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-5-4-7-14(11-17)16(12)19-15-8-3-2-6-13(15)9-10-18/h2-8,18H,9-10H2,1H3.
What are the key properties of 2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile?
2-[2-(2-hydroxyethyl)phenoxy]-3-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]-3-methylbenzonitrile is sourced from PubChem (CID 107712408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).