1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one

C17H24O2 — CID 103167727

IUPAC1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
SMILESCCOC1CC(CC(=O)Cc2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H24O2/c1-4-19-17-10-15(11-17)9-16(18)8-14-6-12(2)5-13(3)7-14/h5-7,15,17H,4,8-11H2,1-3H3
InChIKeyGKQGYOPPPIOQSE-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.62
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one

1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one (PubChem CID 103167727) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
PubChem CID103167727
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
SMILESCCOC1CC(CC(=O)Cc2cc(C)cc(C)c2)C1
InChIInChI=1S/C17H24O2/c1-4-19-17-10-15(11-17)9-16(18)8-14-6-12(2)5-13(3)7-14/h5-7,15,17H,4,8-11H2,1-3H3
InChIKeyGKQGYOPPPIOQSE-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one
CID 103164289
1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103164062
1-(4-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 107890536
1-(3,5-dimethylphenyl)-3-(thian-4-yl)propan-2-one
CID 105081386
1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103167780
1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168260
2-(3-ethoxycyclobutyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 103167821
1-(3,5-dimethylphenyl)-3-(ethylamino)propan-2-one
CID 116562424
1-(1-butan-2-ylpyrazol-3-yl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103167885
1-(3,5-dimethylphenyl)undecan-2-one
CID 63409539
1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one
CID 65138899
1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 103167962

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one (CID 103167727) is 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one is CCOC1CC(CC(=O)Cc2cc(C)cc(C)c2)C1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one?
The InChIKey is GKQGYOPPPIOQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-19-17-10-15(11-17)9-16(18)8-14-6-12(2)5-13(3)7-14/h5-7,15,17H,4,8-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one?
1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-one is sourced from PubChem (CID 103167727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).