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

C18H28O3 — CID 83931996

IUPAC5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one
SMILESCCCOc1ccc(CC(C)CC(C)=O)cc1OCCC
InChIInChI=1S/C18H28O3/c1-5-9-20-17-8-7-16(12-14(3)11-15(4)19)13-18(17)21-10-6-2/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyPZKCKIHOZGGCSD-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.42
Rot. Bonds10

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

5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one (PubChem CID 83931996) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one
PubChem CID83931996
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one
SMILESCCCOc1ccc(CC(C)CC(C)=O)cc1OCCC
InChIInChI=1S/C18H28O3/c1-5-9-20-17-8-7-16(12-14(3)11-15(4)19)13-18(17)21-10-6-2/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyPZKCKIHOZGGCSD-UHFFFAOYSA-N
XLogP4.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-diethoxyphenyl)-4-methylpentan-2-one
CID 83923565
4-(3-methoxy-4-propoxyphenyl)-3-methylbutanethioamide
CID 83938481
2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid
CID 170879715
1-(3-ethoxy-4-propoxyphenyl)propan-2-ol
CID 82161162
4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene
CID 83932021
2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine
CID 83931979
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693
2-(aminomethyl)-4-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol
CID 83931978
3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 22684522
2-(3-ethoxy-4-propoxyphenyl)acetate
CID 7139426
2-bromo-1-(3,4-dipropoxyphenyl)butan-1-one
CID 63385990
5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
CID 83922980

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one?
The IUPAC name of 5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one (CID 83931996) is 5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one?
The canonical SMILES for 5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one is CCCOc1ccc(CC(C)CC(C)=O)cc1OCCC.
What is the InChIKey of 5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one?
The InChIKey is PZKCKIHOZGGCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-5-9-20-17-8-7-16(12-14(3)11-15(4)19)13-18(17)21-10-6-2/h7-8,13-14H,5-6,9-12H2,1-4H3.
What are the key properties of 5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one?
5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one has a molecular weight of 292.42 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 83931996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).