(2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone

C16H22O — CID 107000766

IUPAC(2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone
SMILESCCc1ccc(CC)c(C(=O)C2CC2(C)C)c1
InChIInChI=1S/C16H22O/c1-5-11-7-8-12(6-2)13(9-11)15(17)14-10-16(14,3)4/h7-9,14H,5-6,10H2,1-4H3
InChIKeyNOUWOUVVFBTINP-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.04
Rot. Bonds4

About (2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone

(2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107000766) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name(2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone
PubChem CID107000766
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone
SMILESCCc1ccc(CC)c(C(=O)C2CC2(C)C)c1
InChIInChI=1S/C16H22O/c1-5-11-7-8-12(6-2)13(9-11)15(17)14-10-16(14,3)4/h7-9,14H,5-6,10H2,1-4H3
InChIKeyNOUWOUVVFBTINP-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclopropyl)-(2,4,6-triethylphenyl)methanone
CID 107000810
(2,2-dimethylcyclopropyl)-(5-ethylfuran-2-yl)methanone
CID 107000752
(2,5-diethylbenzoyl) 2,5-diethylbenzoate
CID 150438529
2,5-diethylbenzoyl iodide
CID 139959906
propyl 2,5-diethylbenzoate
CID 22448167
2-bromo-1-(2,5-diethylphenyl)butan-1-one
CID 63385919
(2-amino-5-methylphenyl)-(2,5-diethylphenyl)methanone
CID 65456262
(2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone
CID 107000654
1-(2,5-diethylphenyl)decan-1-one
CID 65448938
1-(2,5-diethylphenyl)-2-methylsulfonylpropan-1-one
CID 104518163
1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene
CID 142058084
(2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone
CID 79215685

Frequently Asked Questions

What is the IUPAC name of (2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of (2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone (CID 107000766) is (2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for (2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for (2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone is CCc1ccc(CC)c(C(=O)C2CC2(C)C)c1.
What is the InChIKey of (2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is NOUWOUVVFBTINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-5-11-7-8-12(6-2)13(9-11)15(17)14-10-16(14,3)4/h7-9,14H,5-6,10H2,1-4H3.
What are the key properties of (2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone?
(2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 230.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethylphenyl)-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107000766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).