3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one

C21H26O3 — CID 70018291

IUPAC3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one
SMILESCCOc1ccc(CC)cc1CCC(=O)c1ccccc1OCC
InChIInChI=1S/C21H26O3/c1-4-16-11-14-20(23-5-2)17(15-16)12-13-19(22)18-9-7-8-10-21(18)24-6-3/h7-11,14-15H,4-6,12-13H2,1-3H3
InChIKeyAYIVPOBABMSUQC-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.86
Rot. Bonds9

About 3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one

3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one (PubChem CID 70018291) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one
PubChem CID70018291
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one
SMILESCCOc1ccc(CC)cc1CCC(=O)c1ccccc1OCC
InChIInChI=1S/C21H26O3/c1-4-16-11-14-20(23-5-2)17(15-16)12-13-19(22)18-9-7-8-10-21(18)24-6-3/h7-11,14-15H,4-6,12-13H2,1-3H3
InChIKeyAYIVPOBABMSUQC-UHFFFAOYSA-N
XLogP4.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)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-ethoxy-4-ethylphenyl) 2-ethoxybenzoate
CID 176892639
1-(2,5-dipentoxyphenyl)-3-(5-ethyl-2-pentoxyphenyl)propan-1-one
CID 70017990
1-(2-ethoxyphenyl)-2-(3-ethylphenoxy)ethanone
CID 43799191
2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
CID 61056257
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
3-(dimethylamino)-1-(2-ethoxyphenyl)propan-1-one
CID 115345793
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 70019238
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one?
The IUPAC name of 3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one (CID 70018291) is 3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one?
The canonical SMILES for 3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one is CCOc1ccc(CC)cc1CCC(=O)c1ccccc1OCC.
What is the InChIKey of 3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one?
The InChIKey is AYIVPOBABMSUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-4-16-11-14-20(23-5-2)17(15-16)12-13-19(22)18-9-7-8-10-21(18)24-6-3/h7-11,14-15H,4-6,12-13H2,1-3H3.
What are the key properties of 3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one?
3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one has a molecular weight of 326.44 g/mol, XLogP of 4.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-5-ethylphenyl)-1-(2-ethoxyphenyl)propan-1-one is sourced from PubChem (CID 70018291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).