5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one

C15H22O2 — CID 83942693

IUPAC5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
SMILESCCc1ccc(OC)c(CC(C)CC(C)=O)c1
InChIInChI=1S/C15H22O2/c1-5-13-6-7-15(17-4)14(10-13)9-11(2)8-12(3)16/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyZFVYIRJHASJJMC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.42
Rot. Bonds6

About 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one

5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one (PubChem CID 83942693) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
PubChem CID83942693
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
SMILESCCc1ccc(OC)c(CC(C)CC(C)=O)c1
InChIInChI=1S/C15H22O2/c1-5-13-6-7-15(17-4)14(10-13)9-11(2)8-12(3)16/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyZFVYIRJHASJJMC-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,5-diethylphenyl)-4-methylpentan-2-one
CID 83920938
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine
CID 83942714
1-(2-ethoxy-5-ethylphenyl)-2-methylheptan-4-one
CID 83942574
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
5-(3,4-diethoxyphenyl)-4-methylpentan-2-one
CID 83923565
2-[(5-ethyl-2-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116931688
4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
CID 115235918
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 117041938
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
ethyl 3-(3-ethyl-4-methoxyphenyl)-2-methylpropanoate
CID 58566780
5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236595
1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 110775027

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one?
The IUPAC name of 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one (CID 83942693) is 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one?
The canonical SMILES for 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one is CCc1ccc(OC)c(CC(C)CC(C)=O)c1.
What is the InChIKey of 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one?
The InChIKey is ZFVYIRJHASJJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-13-6-7-15(17-4)14(10-13)9-11(2)8-12(3)16/h6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one?
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 83942693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).