2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone

C19H24O — CID 79561425

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone
SMILESO=C(CC1CC2CCC1C2)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H24O/c20-18(13-16-12-14-7-8-15(16)11-14)19(9-4-10-19)17-5-2-1-3-6-17/h1-3,5-6,14-16H,4,7-13H2
InChIKeyAQONSJBJOVNHEK-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.50
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone (PubChem CID 79561425) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone
PubChem CID79561425
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone
SMILESO=C(CC1CC2CCC1C2)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H24O/c20-18(13-16-12-14-7-8-15(16)11-14)19(9-4-10-19)17-5-2-1-3-6-17/h1-3,5-6,14-16H,4,7-13H2
InChIKeyAQONSJBJOVNHEK-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone (CID 79561425) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone is O=C(CC1CC2CCC1C2)C1(c2ccccc2)CCC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone?
The InChIKey is AQONSJBJOVNHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c20-18(13-16-12-14-7-8-15(16)11-14)19(9-4-10-19)17-5-2-1-3-6-17/h1-3,5-6,14-16H,4,7-13H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone has a molecular weight of 268.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone is sourced from PubChem (CID 79561425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).