4-ethoxy-1-(4-ethoxyphenyl)butan-1-one

C14H20O3 — CID 105093941

IUPAC4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
SMILESCCOCCCC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C14H20O3/c1-3-16-11-5-6-14(15)12-7-9-13(10-8-12)17-4-2/h7-10H,3-6,11H2,1-2H3
InChIKeyOCJNJNWBYNDMMF-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.08
Rot. Bonds8

About 4-ethoxy-1-(4-ethoxyphenyl)butan-1-one

4-ethoxy-1-(4-ethoxyphenyl)butan-1-one (PubChem CID 105093941) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-ethoxy-1-(4-ethoxyphenyl)butan-1-one.

Molecular Properties

Compound Name4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
PubChem CID105093941
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
SMILESCCOCCCC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C14H20O3/c1-3-16-11-5-6-14(15)12-7-9-13(10-8-12)17-4-2/h7-10H,3-6,11H2,1-2H3
InChIKeyOCJNJNWBYNDMMF-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

Analyze 4-ethoxy-1-(4-ethoxyphenyl)butan-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

1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 105097430
4-ethoxy-1-(4-ethylphenyl)butan-1-one
CID 105085940
1-(4-ethoxyphenyl)dodecan-1-one
CID 146006535
4-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 105122439
1-(4-ethoxyphenyl)-4-(methylamino)butan-1-one
CID 116555513
3-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 105096969
ethyl 5-(4-ethoxyphenyl)-5-oxopentanoate
CID 24727563
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one
CID 82053444
ethyl 4-(4-pentanoylphenoxy)butanoate
CID 68805666
2-ethoxyethyl 4-ethoxybenzenecarboperoxoate
CID 173265434

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-ethoxyphenyl)butan-1-one?
The IUPAC name of 4-ethoxy-1-(4-ethoxyphenyl)butan-1-one (CID 105093941) is 4-ethoxy-1-(4-ethoxyphenyl)butan-1-one.
What is the SMILES notation for 4-ethoxy-1-(4-ethoxyphenyl)butan-1-one?
The canonical SMILES for 4-ethoxy-1-(4-ethoxyphenyl)butan-1-one is CCOCCCC(=O)c1ccc(OCC)cc1.
What is the InChIKey of 4-ethoxy-1-(4-ethoxyphenyl)butan-1-one?
The InChIKey is OCJNJNWBYNDMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-16-11-5-6-14(15)12-7-9-13(10-8-12)17-4-2/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 4-ethoxy-1-(4-ethoxyphenyl)butan-1-one?
4-ethoxy-1-(4-ethoxyphenyl)butan-1-one has a molecular weight of 236.31 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-ethoxyphenyl)butan-1-one is sourced from PubChem (CID 105093941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).