1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one

C15H20O2 — CID 116709353

IUPAC1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
SMILESCCOC(C(=O)Cc1ccc(C)cc1)C1CC1
InChIInChI=1S/C15H20O2/c1-3-17-15(13-8-9-13)14(16)10-12-6-4-11(2)5-7-12/h4-7,13,15H,3,8-10H2,1-2H3
InChIKeyQJFJKWWPAHVWDN-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.92
Rot. Bonds6

About 1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one

1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one (PubChem CID 116709353) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
PubChem CID116709353
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
SMILESCCOC(C(=O)Cc1ccc(C)cc1)C1CC1
InChIInChI=1S/C15H20O2/c1-3-17-15(13-8-9-13)14(16)10-12-6-4-11(2)5-7-12/h4-7,13,15H,3,8-10H2,1-2H3
InChIKeyQJFJKWWPAHVWDN-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-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-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
CID 116751239
1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one
CID 116709210
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one
CID 116709296
1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347374
3-ethyl-1-(4-methylphenyl)pentan-2-one
CID 61077540
N-[cyano(cyclopropyl)methyl]-2-(4-methylphenyl)acetamide
CID 63821795
1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116751208
1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one
CID 107047497
1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103007918
1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one
CID 107308047
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxypropan-2-one
CID 116709160
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 116751294

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one?
The IUPAC name of 1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one (CID 116709353) is 1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one is CCOC(C(=O)Cc1ccc(C)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one?
The InChIKey is QJFJKWWPAHVWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-17-15(13-8-9-13)14(16)10-12-6-4-11(2)5-7-12/h4-7,13,15H,3,8-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one?
1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one has a molecular weight of 232.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one is sourced from PubChem (CID 116709353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).