1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one

C15H22O2 — CID 62044718

IUPAC1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
SMILESCCCC(=O)COc1cc(C)cc(C(C)C)c1
InChIInChI=1S/C15H22O2/c1-5-6-14(16)10-17-15-8-12(4)7-13(9-15)11(2)3/h7-9,11H,5-6,10H2,1-4H3
InChIKeyOSDGHLXCUKMTRH-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.87
Rot. Bonds6

About 1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one

1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one (PubChem CID 62044718) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one.

Molecular Properties

Compound Name1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
PubChem CID62044718
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
SMILESCCCC(=O)COc1cc(C)cc(C(C)C)c1
InChIInChI=1S/C15H22O2/c1-5-6-14(16)10-17-15-8-12(4)7-13(9-15)11(2)3/h7-9,11H,5-6,10H2,1-4H3
InChIKeyOSDGHLXCUKMTRH-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one
CID 62034166
1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
CID 63567450
N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide
CID 110834191
1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
CID 60625222
N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine
CID 2296857
1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one
CID 107507960
4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 64697542
1-(3-ethoxy-5-methylphenyl)ethanol
CID 171367862
ethyl 4-(3,5-dimethylphenoxy)-3-oxobutanoate
CID 60643754
(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
CID 23447077
1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 55221165
(3-methyl-5-propan-2-ylphenyl) 3,5-dichlorobenzoate
CID 2445360

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one?
The IUPAC name of 1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one (CID 62044718) is 1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one.
What is the SMILES notation for 1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one?
The canonical SMILES for 1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one is CCCC(=O)COc1cc(C)cc(C(C)C)c1.
What is the InChIKey of 1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one?
The InChIKey is OSDGHLXCUKMTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-6-14(16)10-17-15-8-12(4)7-13(9-15)11(2)3/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one?
1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one is sourced from PubChem (CID 62044718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).