5-(3,4-diethoxyphenyl)-4-methylpentan-2-one

C16H24O3 — CID 83923565

IUPAC5-(3,4-diethoxyphenyl)-4-methylpentan-2-one
SMILESCCOc1ccc(CC(C)CC(C)=O)cc1OCC
InChIInChI=1S/C16H24O3/c1-5-18-15-8-7-14(11-16(15)19-6-2)10-12(3)9-13(4)17/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyOKIBGHWPFJKHOQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.64
Rot. Bonds8

About 5-(3,4-diethoxyphenyl)-4-methylpentan-2-one

5-(3,4-diethoxyphenyl)-4-methylpentan-2-one (PubChem CID 83923565) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-(3,4-diethoxyphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name5-(3,4-diethoxyphenyl)-4-methylpentan-2-one
PubChem CID83923565
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name5-(3,4-diethoxyphenyl)-4-methylpentan-2-one
SMILESCCOc1ccc(CC(C)CC(C)=O)cc1OCC
InChIInChI=1S/C16H24O3/c1-5-18-15-8-7-14(11-16(15)19-6-2)10-12(3)9-13(4)17/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyOKIBGHWPFJKHOQ-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one
CID 83931996
diethyl 2-[(3,4-diethoxyphenyl)methyl]propanedioate
CID 71574869
1-amino-1-[1-(3,4-diethoxyphenyl)propan-2-yl]urea
CID 118285034
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
2-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 84752900
4-(3,4-diethoxyphenyl)-3-(dimethylamino)butanoic acid
CID 82352468
methyl 3-chloro-4-(3,4-diethoxyphenyl)butanoate
CID 82352083
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693
2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid
CID 170879715
1-(3-ethoxy-4-propoxyphenyl)propan-2-ol
CID 82161162
5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
CID 83922980
[4-(2-aminobutyl)-2-ethoxyphenyl] acetate
CID 170889343

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethoxyphenyl)-4-methylpentan-2-one?
The IUPAC name of 5-(3,4-diethoxyphenyl)-4-methylpentan-2-one (CID 83923565) is 5-(3,4-diethoxyphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 5-(3,4-diethoxyphenyl)-4-methylpentan-2-one?
The canonical SMILES for 5-(3,4-diethoxyphenyl)-4-methylpentan-2-one is CCOc1ccc(CC(C)CC(C)=O)cc1OCC.
What is the InChIKey of 5-(3,4-diethoxyphenyl)-4-methylpentan-2-one?
The InChIKey is OKIBGHWPFJKHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-18-15-8-7-14(11-16(15)19-6-2)10-12(3)9-13(4)17/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of 5-(3,4-diethoxyphenyl)-4-methylpentan-2-one?
5-(3,4-diethoxyphenyl)-4-methylpentan-2-one has a molecular weight of 264.37 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diethoxyphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 83923565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).