4-(2-ethoxyphenyl)-4-methylpentan-2-one

C14H20O2 — CID 64717616

IUPAC4-(2-ethoxyphenyl)-4-methylpentan-2-one
SMILESCCOc1ccccc1C(C)(C)CC(C)=O
InChIInChI=1S/C14H20O2/c1-5-16-13-9-7-6-8-12(13)14(3,4)10-11(2)15/h6-9H,5,10H2,1-4H3
InChIKeyCVAGULBKBWVOKW-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.34
Rot. Bonds5

About 4-(2-ethoxyphenyl)-4-methylpentan-2-one

4-(2-ethoxyphenyl)-4-methylpentan-2-one (PubChem CID 64717616) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-4-methylpentan-2-one
PubChem CID64717616
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-(2-ethoxyphenyl)-4-methylpentan-2-one
SMILESCCOc1ccccc1C(C)(C)CC(C)=O
InChIInChI=1S/C14H20O2/c1-5-16-13-9-7-6-8-12(13)14(3,4)10-11(2)15/h6-9H,5,10H2,1-4H3
InChIKeyCVAGULBKBWVOKW-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-ethoxyphenyl)-4-methylpentan-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

3-(2-ethoxyphenyl)-3-methylbutanoic acid
CID 81003890
4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one
CID 113438517
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62399004
ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397772
3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid
CID 79367358
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
3-(2-acetyloxyphenyl)-3-methylbutanethioate
CID 140866918
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
CID 156763137
2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid
CID 43754018
1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 139967229
2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid
CID 83043570

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-4-methylpentan-2-one?
The IUPAC name of 4-(2-ethoxyphenyl)-4-methylpentan-2-one (CID 64717616) is 4-(2-ethoxyphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 4-(2-ethoxyphenyl)-4-methylpentan-2-one?
The canonical SMILES for 4-(2-ethoxyphenyl)-4-methylpentan-2-one is CCOc1ccccc1C(C)(C)CC(C)=O.
What is the InChIKey of 4-(2-ethoxyphenyl)-4-methylpentan-2-one?
The InChIKey is CVAGULBKBWVOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-16-13-9-7-6-8-12(13)14(3,4)10-11(2)15/h6-9H,5,10H2,1-4H3.
What are the key properties of 4-(2-ethoxyphenyl)-4-methylpentan-2-one?
4-(2-ethoxyphenyl)-4-methylpentan-2-one has a molecular weight of 220.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 64717616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).