(2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone

C17H24O — CID 54428500

IUPAC(2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2C(C)(C)C2(C)C)cc1C
InChIInChI=1S/C17H24O/c1-10-8-12(3)13(9-11(10)2)14(18)15-16(4,5)17(15,6)7/h8-9,15H,1-7H3
InChIKeyWFVMOWAQEYHYOP-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.48
Rot. Bonds2

About (2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone

(2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 54428500) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
PubChem CID54428500
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2C(C)(C)C2(C)C)cc1C
InChIInChI=1S/C17H24O/c1-10-8-12(3)13(9-11(10)2)14(18)15-16(4,5)17(15,6)7/h8-9,15H,1-7H3
InChIKeyWFVMOWAQEYHYOP-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-2,5-dimethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476290
(2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
CID 107003910
(4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone
CID 65389610
cyclobutyl-(2,4,5-trimethylphenyl)methanone
CID 64989834
(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 107515193
azetidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116583626
1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935
pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116568229
(2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone
CID 107000808
(6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24823778
(5-methyloxolan-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 114975854
(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanone
CID 171947825

Frequently Asked Questions

What is the IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone (CID 54428500) is (2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2C(C)(C)C2(C)C)cc1C.
What is the InChIKey of (2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is WFVMOWAQEYHYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-10-8-12(3)13(9-11(10)2)14(18)15-16(4,5)17(15,6)7/h8-9,15H,1-7H3.
What are the key properties of (2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone?
(2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 244.38 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 54428500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).