3-[4-(ethoxymethyl)phenyl]benzonitrile

C16H15NO — CID 139818129

IUPAC3-[4-(ethoxymethyl)phenyl]benzonitrile
SMILESCCOCc1ccc(-c2cccc(C#N)c2)cc1
InChIInChI=1S/C16H15NO/c1-2-18-12-13-6-8-15(9-7-13)16-5-3-4-14(10-16)11-17/h3-10H,2,12H2,1H3
InChIKeyHAUHXAPELJRYFS-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.76
Rot. Bonds4

About 3-[4-(ethoxymethyl)phenyl]benzonitrile

3-[4-(ethoxymethyl)phenyl]benzonitrile (PubChem CID 139818129) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[4-(ethoxymethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-(ethoxymethyl)phenyl]benzonitrile
PubChem CID139818129
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-[4-(ethoxymethyl)phenyl]benzonitrile
SMILESCCOCc1ccc(-c2cccc(C#N)c2)cc1
InChIInChI=1S/C16H15NO/c1-2-18-12-13-6-8-15(9-7-13)16-5-3-4-14(10-16)11-17/h3-10H,2,12H2,1H3
InChIKeyHAUHXAPELJRYFS-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[4-(ethoxymethyl)phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide
CID 72893749
ethyl 4-(3-cyanophenyl)benzoate
CID 71764677
3-[4-[(propan-2-ylamino)methyl]phenyl]benzonitrile
CID 54912123
3-[4-[3-[ethyl(propyl)amino]propyl]phenyl]benzonitrile
CID 142237675
3-[3-(4-tert-butylphenyl)phenyl]benzonitrile
CID 165376163
3-[4-(4-methylheptan-4-yl)phenyl]benzonitrile
CID 142248026
3-[4-[1-(ethylamino)ethyl]phenyl]benzonitrile
CID 54912076
[4-[4-(ethoxymethyl)phenyl]phenyl]methanol
CID 123162407
methyl 3-(3-cyanophenyl)-5-(phenylmethoxymethyl)benzoate
CID 70156644
3-(3-methoxyphenyl)benzonitrile
CID 4189594
3-[4-[1-(ethylamino)propyl]phenyl]benzonitrile
CID 61026220
methyl 3-(3-cyanophenyl)-5-[(4-propan-2-ylphenyl)methoxymethyl]benzoate
CID 70158038

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethoxymethyl)phenyl]benzonitrile?
The IUPAC name of 3-[4-(ethoxymethyl)phenyl]benzonitrile (CID 139818129) is 3-[4-(ethoxymethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[4-(ethoxymethyl)phenyl]benzonitrile?
The canonical SMILES for 3-[4-(ethoxymethyl)phenyl]benzonitrile is CCOCc1ccc(-c2cccc(C#N)c2)cc1.
What is the InChIKey of 3-[4-(ethoxymethyl)phenyl]benzonitrile?
The InChIKey is HAUHXAPELJRYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-18-12-13-6-8-15(9-7-13)16-5-3-4-14(10-16)11-17/h3-10H,2,12H2,1H3.
What are the key properties of 3-[4-(ethoxymethyl)phenyl]benzonitrile?
3-[4-(ethoxymethyl)phenyl]benzonitrile has a molecular weight of 237.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethoxymethyl)phenyl]benzonitrile is sourced from PubChem (CID 139818129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).