2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone

C16H16Cl2O — CID 114097294

IUPAC2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H16Cl2O/c17-11-4-3-8(12(18)7-11)6-13(19)16-14-9-1-2-10(5-9)15(14)16/h3-4,7,9-10,14-16H,1-2,5-6H2
InChIKeyYXJUPBAFRVTHOQ-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.40
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone

2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone (PubChem CID 114097294) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone
PubChem CID114097294
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H16Cl2O/c17-11-4-3-8(12(18)7-11)6-13(19)16-14-9-1-2-10(5-9)15(14)16/h3-4,7,9-10,14-16H,1-2,5-6H2
InChIKeyYXJUPBAFRVTHOQ-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-adamantyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967204
1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
CID 116557220
(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98230227
2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105088329
2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone
CID 80621705
2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088261
2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone
CID 116516992
2-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanone
CID 113289654
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482
fluoro 2-(2,4-dichlorophenyl)acetate
CID 144704595
2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone
CID 162682216
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
CID 65321510

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone (CID 114097294) is 2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)C1C2C3CCC(C3)C12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone?
The InChIKey is YXJUPBAFRVTHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c17-11-4-3-8(12(18)7-11)6-13(19)16-14-9-1-2-10(5-9)15(14)16/h3-4,7,9-10,14-16H,1-2,5-6H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone?
2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone has a molecular weight of 295.21 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone is sourced from PubChem (CID 114097294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).