2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one

C17H24O2 — CID 81414984

IUPAC2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one
SMILESCCCOc1ccc(C2CC(=O)C2(CC)CC)cc1
InChIInChI=1S/C17H24O2/c1-4-11-19-14-9-7-13(8-10-14)15-12-16(18)17(15,5-2)6-3/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyNGIKISKZFZXMRB-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.34
Rot. Bonds6

About 2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one

2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one (PubChem CID 81414984) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one.

Molecular Properties

Compound Name2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one
PubChem CID81414984
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one
SMILESCCCOc1ccc(C2CC(=O)C2(CC)CC)cc1
InChIInChI=1S/C17H24O2/c1-4-11-19-14-9-7-13(8-10-14)15-12-16(18)17(15,5-2)6-3/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyNGIKISKZFZXMRB-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one
CID 23041608
2,2-diethyl-3-(4-phenylphenyl)cyclobutan-1-one
CID 81416301
2-ethyl-3-(4-methoxyphenyl)-2-methylcyclobutan-1-one
CID 81416060
5-methyl-2-[4-(4-propoxyphenyl)phenyl]cyclohexan-1-one
CID 23041288
4-(4-propoxyphenyl)imidazolidin-2-one
CID 154396334
CID 57452703
CID 57452703
6-(4-propoxyphenyl)thiomorpholin-3-one
CID 46233199
(4S)-3-methyl-4-(4-propoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136915644
2-(4-propoxyphenyl)-6-propylspiro[3.3]heptane
CID 19387628
1-bromo-3-(4-propoxyphenyl)cycloheptane
CID 64507843
2-methylsulfanyl-5-(4-propoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 166937516
2-(4-propoxyphenyl)-3-propylimidazolidin-4-one
CID 115282100

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one?
The IUPAC name of 2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one (CID 81414984) is 2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one.
What is the SMILES notation for 2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one?
The canonical SMILES for 2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one is CCCOc1ccc(C2CC(=O)C2(CC)CC)cc1.
What is the InChIKey of 2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one?
The InChIKey is NGIKISKZFZXMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-11-19-14-9-7-13(8-10-14)15-12-16(18)17(15,5-2)6-3/h7-10,15H,4-6,11-12H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one?
2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one has a molecular weight of 260.38 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one is sourced from PubChem (CID 81414984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).