(1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one

C15H16O2 — CID 11085544

IUPAC(1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one
SMILESC[C@@]12CC[C@@H]3C[C@@H](O[C@@]31c1ccccc1)C2=O
InChIInChI=1S/C15H16O2/c1-14-8-7-11-9-12(13(14)16)17-15(11,14)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12-,14+,15+/m1/s1
InChIKeyYQQIYMISBDEBSW-UXOAXIEHSA-N
MW228.29 g/mol
LogP2.67
Rot. Bonds1

About (1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one

(1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one (PubChem CID 11085544) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one.

Molecular Properties

Compound Name(1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one
PubChem CID11085544
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one
SMILESC[C@@]12CC[C@@H]3C[C@@H](O[C@@]31c1ccccc1)C2=O
InChIInChI=1S/C15H16O2/c1-14-8-7-11-9-12(13(14)16)17-15(11,14)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12-,14+,15+/m1/s1
InChIKeyYQQIYMISBDEBSW-UXOAXIEHSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one?
The IUPAC name of (1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one (CID 11085544) is (1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one.
What is the SMILES notation for (1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one?
The canonical SMILES for (1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one is C[C@@]12CC[C@@H]3C[C@@H](O[C@@]31c1ccccc1)C2=O.
What is the InChIKey of (1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one?
The InChIKey is YQQIYMISBDEBSW-UXOAXIEHSA-N. The full InChI is InChI=1S/C15H16O2/c1-14-8-7-11-9-12(13(14)16)17-15(11,14)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12-,14+,15+/m1/s1.
What are the key properties of (1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one?
(1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one has a molecular weight of 228.29 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6R,7R)-3-methyl-7-phenyl-8-oxatricyclo[4.2.1.03,7]nonan-2-one is sourced from PubChem (CID 11085544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).