5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one

C17H26O2 — CID 83939803

IUPAC5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one
SMILESCCOc1ccc(C(CC)CCC(C)=O)c(C)c1C
InChIInChI=1S/C17H26O2/c1-6-15(9-8-12(3)18)16-10-11-17(19-7-2)14(5)13(16)4/h10-11,15H,6-9H2,1-5H3
InChIKeyISOQZISIIZIFPG-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.56
Rot. Bonds7

About 5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one

5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one (PubChem CID 83939803) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one.

Molecular Properties

Compound Name5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one
PubChem CID83939803
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one
SMILESCCOc1ccc(C(CC)CCC(C)=O)c(C)c1C
InChIInChI=1S/C17H26O2/c1-6-15(9-8-12(3)18)16-10-11-17(19-7-2)14(5)13(16)4/h10-11,15H,6-9H2,1-5H3
InChIKeyISOQZISIIZIFPG-UHFFFAOYSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-ethoxy-2,3-dimethylphenyl)heptan-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

4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine
CID 83939793
5-(2,3-dimethylphenyl)heptan-2-one
CID 83921989
5-(2,4-dimethylphenyl)heptan-2-one
CID 83927995
1-ethoxy-2,3-dimethyl-4-[(Z)-oct-5-en-3-yl]benzene
CID 83939883
5-(5-ethyl-2-methoxyphenyl)heptan-2-one
CID 83942671
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-one
CID 83938826
5-(2-hydroxy-3-methoxyphenyl)heptan-2-one
CID 83930594
5-(4-ethoxy-3-methoxyphenyl)hexan-2-one
CID 83938305
5-(3,5-dimethylphenyl)heptan-2-one
CID 83922345
5-(5-bromo-2,4-dimethoxyphenyl)heptan-2-one
CID 83925872
5-(5-chloro-2,3,4-trimethoxyphenyl)heptan-2-one
CID 83925579
5-(2,3-dimethyl-4-propoxyphenyl)heptane-2,3-diol
CID 83940032

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one?
The IUPAC name of 5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one (CID 83939803) is 5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one.
What is the SMILES notation for 5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one?
The canonical SMILES for 5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one is CCOc1ccc(C(CC)CCC(C)=O)c(C)c1C.
What is the InChIKey of 5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one?
The InChIKey is ISOQZISIIZIFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-6-15(9-8-12(3)18)16-10-11-17(19-7-2)14(5)13(16)4/h10-11,15H,6-9H2,1-5H3.
What are the key properties of 5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one?
5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one has a molecular weight of 262.39 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-2,3-dimethylphenyl)heptan-2-one is sourced from PubChem (CID 83939803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).