4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile

C19H19NO4 — CID 17488542

IUPAC4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile
SMILESCCOc1cc(C#N)ccc1OCCOc1ccccc1C(C)=O
InChIInChI=1S/C19H19NO4/c1-3-22-19-12-15(13-20)8-9-18(19)24-11-10-23-17-7-5-4-6-16(17)14(2)21/h4-9,12H,3,10-11H2,1-2H3
InChIKeyXCDUMRRUGYOFPG-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.62
Rot. Bonds8

About 4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile

4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile (PubChem CID 17488542) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile.

Molecular Properties

Compound Name4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile
PubChem CID17488542
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile
SMILESCCOc1cc(C#N)ccc1OCCOc1ccccc1C(C)=O
InChIInChI=1S/C19H19NO4/c1-3-22-19-12-15(13-20)8-9-18(19)24-11-10-23-17-7-5-4-6-16(17)14(2)21/h4-9,12H,3,10-11H2,1-2H3
InChIKeyXCDUMRRUGYOFPG-UHFFFAOYSA-N
XLogP3.62
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile 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

3-[2-(2-ethoxyphenoxy)ethoxy]-4-methoxybenzonitrile
CID 20993127
4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxybenzonitrile
CID 2985466
4-[2-(2,3-dimethylphenoxy)ethoxy]-3-ethoxybenzonitrile
CID 20986781
3-ethoxy-4-phenacyloxybenzonitrile
CID 7993363
5-cyano-2-ethoxybenzoic acid
CID 51712745
N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27698502
1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
CID 2284019
3-ethoxy-4-hexoxybenzonitrile
CID 20993567
tert-butyl 3-(4-cyano-2-ethoxyphenoxy)propanoate
CID 116659181
3-ethoxy-4-phenylmethoxybenzonitrile;3-oxobutanoic acid
CID 174551287
3-ethoxy-4-(3-ethylsulfonylpropoxy)benzonitrile
CID 65093173
4-acetyl-3-but-3-ynoxybenzonitrile
CID 106795028

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile?
The IUPAC name of 4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile (CID 17488542) is 4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile.
What is the SMILES notation for 4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile?
The canonical SMILES for 4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile is CCOc1cc(C#N)ccc1OCCOc1ccccc1C(C)=O.
What is the InChIKey of 4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile?
The InChIKey is XCDUMRRUGYOFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-22-19-12-15(13-20)8-9-18(19)24-11-10-23-17-7-5-4-6-16(17)14(2)21/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of 4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile?
4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile has a molecular weight of 325.36 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile is sourced from PubChem (CID 17488542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).