(2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone

C15H20O — CID 107003910

IUPAC(2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CC2(C)C)cc1C
InChIInChI=1S/C15H20O/c1-9-6-11(3)12(7-10(9)2)14(16)13-8-15(13,4)5/h6-7,13H,8H2,1-5H3
InChIKeyVDHYNQJUIQFEEX-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.84
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone

(2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 107003910) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
PubChem CID107003910
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2CC2(C)C)cc1C
InChIInChI=1S/C15H20O/c1-9-6-11(3)12(7-10(9)2)14(16)13-8-15(13,4)5/h6-7,13H,8H2,1-5H3
InChIKeyVDHYNQJUIQFEEX-UHFFFAOYSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4,5-dimethylphenyl)-(2,2-dimethylcyclopropyl)methanone
CID 107000808
(2,2,3,3-tetramethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone
CID 54428500
(2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone
CID 107000802
(4,4-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanone
CID 65389610
cyclobutyl-(2,4,5-trimethylphenyl)methanone
CID 64989834
azetidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116583626
(2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
CID 107925462
(2,5-dichlorothiophen-3-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107000721
(2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone
CID 107003800
6-azaspiro[2.5]octan-2-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116573146
(2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone
CID 107000766
pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116568229

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone (CID 107003910) is (2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2CC2(C)C)cc1C.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is VDHYNQJUIQFEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-9-6-11(3)12(7-10(9)2)14(16)13-8-15(13,4)5/h6-7,13H,8H2,1-5H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone?
(2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 216.32 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 107003910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).