1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone

C17H20O — CID 59686917

IUPAC1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone
SMILESCC(=O)C12CC3CC(CC1C3)C2c1ccccc1
InChIInChI=1S/C17H20O/c1-11(18)17-10-12-7-14(9-15(17)8-12)16(17)13-5-3-2-4-6-13/h2-6,12,14-16H,7-10H2,1H3
InChIKeyYOYBVLROURHQDB-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.80
Rot. Bonds2

About 1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone

1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone (PubChem CID 59686917) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone.

Molecular Properties

Compound Name1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone
PubChem CID59686917
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone
SMILESCC(=O)C12CC3CC(CC1C3)C2c1ccccc1
InChIInChI=1S/C17H20O/c1-11(18)17-10-12-7-14(9-15(17)8-12)16(17)13-5-3-2-4-6-13/h2-6,12,14-16H,7-10H2,1H3
InChIKeyYOYBVLROURHQDB-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone?
The IUPAC name of 1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone (CID 59686917) is 1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone.
What is the SMILES notation for 1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone?
The canonical SMILES for 1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone is CC(=O)C12CC3CC(CC1C3)C2c1ccccc1.
What is the InChIKey of 1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone?
The InChIKey is YOYBVLROURHQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-11(18)17-10-12-7-14(9-15(17)8-12)16(17)13-5-3-2-4-6-13/h2-6,12,14-16H,7-10H2,1H3.
What are the key properties of 1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone?
1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone is sourced from PubChem (CID 59686917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).