2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one

C17H24O2 — CID 81415345

IUPAC2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H24O2/c1-5-17(6-2)15(11-16(17)18)13-7-9-14(10-8-13)19-12(3)4/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyYSBLNWGCCSHOOX-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.34
Rot. Bonds5

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

2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one (PubChem CID 81415345) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one.

Molecular Properties

Compound Name2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one
PubChem CID81415345
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H24O2/c1-5-17(6-2)15(11-16(17)18)13-7-9-14(10-8-13)19-12(3)4/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyYSBLNWGCCSHOOX-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one?
The IUPAC name of 2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one (CID 81415345) is 2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one.
What is the SMILES notation for 2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one?
The canonical SMILES for 2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one is CCC1(CC)C(=O)CC1c1ccc(OC(C)C)cc1.
What is the InChIKey of 2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one?
The InChIKey is YSBLNWGCCSHOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-5-17(6-2)15(11-16(17)18)13-7-9-14(10-8-13)19-12(3)4/h7-10,12,15H,5-6,11H2,1-4H3.
What are the key properties of 2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one?
2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one has a molecular weight of 260.38 g/mol, XLogP of 4.34, 5 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-propan-2-yloxyphenyl)cyclobutan-1-one is sourced from PubChem (CID 81415345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).