2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one

C16H22O3 — CID 66366795

IUPAC2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1Oc1ccc(C)cc1OC
InChIInChI=1S/C16H22O3/c1-5-16(6-2)14(17)10-15(16)19-12-8-7-11(3)9-13(12)18-4/h7-9,15H,5-6,10H2,1-4H3
InChIKeyVKFONWDJNHCHJT-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.53
Rot. Bonds5

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

2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one (PubChem CID 66366795) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one.

Molecular Properties

Compound Name2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one
PubChem CID66366795
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1Oc1ccc(C)cc1OC
InChIInChI=1S/C16H22O3/c1-5-16(6-2)14(17)10-15(16)19-12-8-7-11(3)9-13(12)18-4/h7-9,15H,5-6,10H2,1-4H3
InChIKeyVKFONWDJNHCHJT-UHFFFAOYSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-5-methylphenoxy)-2-ethyl-2-methylcyclobutan-1-one
CID 66368885
2,2-diethyl-3-(4-methoxy-3-nitrophenoxy)cyclobutan-1-one
CID 103202314
2,2-diethyl-3-naphthalen-1-yloxycyclobutan-1-one
CID 66368436
2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one
CID 66367067
3-(4-chloro-2-nitrophenoxy)-2,2-diethylcyclobutan-1-one
CID 66367222
3-(2-bromo-5-nitrophenoxy)-2,2-diethylcyclobutan-1-one
CID 103013102
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66366678
2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one
CID 81416308
3-(2,5-difluoro-4-nitrophenoxy)-2,2-diethylcyclobutan-1-one
CID 66366439
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
1-(2,5-dimethylphenoxy)spiro[3.5]nonan-3-one
CID 66369239
3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine
CID 66358567

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one?
The IUPAC name of 2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one (CID 66366795) is 2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one.
What is the SMILES notation for 2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one?
The canonical SMILES for 2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one is CCC1(CC)C(=O)CC1Oc1ccc(C)cc1OC.
What is the InChIKey of 2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one?
The InChIKey is VKFONWDJNHCHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-5-16(6-2)14(17)10-15(16)19-12-8-7-11(3)9-13(12)18-4/h7-9,15H,5-6,10H2,1-4H3.
What are the key properties of 2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one?
2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one has a molecular weight of 262.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one is sourced from PubChem (CID 66366795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).