3-[(2-ethylphenoxy)methyl]benzonitrile

C16H15NO — CID 39158687

IUPAC3-[(2-ethylphenoxy)methyl]benzonitrile
SMILESCCc1ccccc1OCc1cccc(C#N)c1
InChIInChI=1S/C16H15NO/c1-2-15-8-3-4-9-16(15)18-12-14-7-5-6-13(10-14)11-17/h3-10H,2,12H2,1H3
InChIKeyGELPIDOVELDRLQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.70
Rot. Bonds4

About 3-[(2-ethylphenoxy)methyl]benzonitrile

3-[(2-ethylphenoxy)methyl]benzonitrile (PubChem CID 39158687) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(2-ethylphenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(2-ethylphenoxy)methyl]benzonitrile
PubChem CID39158687
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-[(2-ethylphenoxy)methyl]benzonitrile
SMILESCCc1ccccc1OCc1cccc(C#N)c1
InChIInChI=1S/C16H15NO/c1-2-15-8-3-4-9-16(15)18-12-14-7-5-6-13(10-14)11-17/h3-10H,2,12H2,1H3
InChIKeyGELPIDOVELDRLQ-UHFFFAOYSA-N
XLogP3.70
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2-aminopropyl)phenoxy]methyl]benzonitrile
CID 60908416
3-ethyl-4-phenylmethoxybenzonitrile
CID 56984010
3-[[2-[(1R)-1-hydroxypropyl]phenoxy]methyl]benzonitrile
CID 63365245
3-[[2-(1-aminopropyl)phenoxy]methyl]benzonitrile
CID 60879214
3-[(3-amino-2-methylphenoxy)methyl]benzonitrile
CID 43381829
1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine
CID 52935326
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
3-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987653
3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 60888801
3-[[4-bromo-2-(ethylaminomethyl)phenoxy]methyl]benzonitrile
CID 60882737
3-[[4-chloro-2-(ethylaminomethyl)phenoxy]methyl]benzonitrile
CID 60882575
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenoxy)methyl]benzonitrile?
The IUPAC name of 3-[(2-ethylphenoxy)methyl]benzonitrile (CID 39158687) is 3-[(2-ethylphenoxy)methyl]benzonitrile.
What is the SMILES notation for 3-[(2-ethylphenoxy)methyl]benzonitrile?
The canonical SMILES for 3-[(2-ethylphenoxy)methyl]benzonitrile is CCc1ccccc1OCc1cccc(C#N)c1.
What is the InChIKey of 3-[(2-ethylphenoxy)methyl]benzonitrile?
The InChIKey is GELPIDOVELDRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-15-8-3-4-9-16(15)18-12-14-7-5-6-13(10-14)11-17/h3-10H,2,12H2,1H3.
What are the key properties of 3-[(2-ethylphenoxy)methyl]benzonitrile?
3-[(2-ethylphenoxy)methyl]benzonitrile has a molecular weight of 237.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenoxy)methyl]benzonitrile is sourced from PubChem (CID 39158687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).