2-ethoxy-1-(4-propoxyphenyl)propan-1-one

C14H20O3 — CID 64540880

IUPAC2-ethoxy-1-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)C(C)OCC)cc1
InChIInChI=1S/C14H20O3/c1-4-10-17-13-8-6-12(7-9-13)14(15)11(3)16-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyGTGVKUOCZUNHRJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.08
Rot. Bonds7

About 2-ethoxy-1-(4-propoxyphenyl)propan-1-one

2-ethoxy-1-(4-propoxyphenyl)propan-1-one (PubChem CID 64540880) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-ethoxy-1-(4-propoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(4-propoxyphenyl)propan-1-one
PubChem CID64540880
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-ethoxy-1-(4-propoxyphenyl)propan-1-one
SMILESCCCOc1ccc(C(=O)C(C)OCC)cc1
InChIInChI=1S/C14H20O3/c1-4-10-17-13-8-6-12(7-9-13)14(15)11(3)16-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyGTGVKUOCZUNHRJ-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-1-(4-propoxyphenyl)propan-1-one 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-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
2-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 43799619
5-amino-2-methyl-1-(4-propoxyphenyl)pentan-1-one
CID 116613497
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-propoxybenzoate
CID 42915712
1-phenyl-2-propoxypropan-1-one
CID 43801137
2-ethyl-1-(4-propoxyphenyl)hexan-1-one
CID 114971018
2-heptoxy-1-(4-methoxyphenyl)propan-1-one
CID 43800113
2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 82100852
2-ethoxy-3-(4-propoxyphenoxy)propanoic acid
CID 63074316
1-(4-methylphenyl)-2-(2-phenoxyethoxy)propan-1-one
CID 43798628
2-ethoxy-2-methyl-1-(4-propoxyphenyl)butan-1-one
CID 116747099
2-amino-1-(4-decoxyphenyl)propan-1-one
CID 19897003

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-propoxyphenyl)propan-1-one?
The IUPAC name of 2-ethoxy-1-(4-propoxyphenyl)propan-1-one (CID 64540880) is 2-ethoxy-1-(4-propoxyphenyl)propan-1-one.
What is the SMILES notation for 2-ethoxy-1-(4-propoxyphenyl)propan-1-one?
The canonical SMILES for 2-ethoxy-1-(4-propoxyphenyl)propan-1-one is CCCOc1ccc(C(=O)C(C)OCC)cc1.
What is the InChIKey of 2-ethoxy-1-(4-propoxyphenyl)propan-1-one?
The InChIKey is GTGVKUOCZUNHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-10-17-13-8-6-12(7-9-13)14(15)11(3)16-5-2/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 2-ethoxy-1-(4-propoxyphenyl)propan-1-one?
2-ethoxy-1-(4-propoxyphenyl)propan-1-one has a molecular weight of 236.31 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-propoxyphenyl)propan-1-one is sourced from PubChem (CID 64540880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).