1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane

C13H14O2 — CID 135020268

IUPAC1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane
SMILESc1ccc(C23CC4OCC2C3CO4)cc1
InChIInChI=1S/C13H14O2/c1-2-4-9(5-3-1)13-6-12-14-7-10(13)11(13)8-15-12/h1-5,10-12H,6-8H2
InChIKeyQUWGTZDDLCRTIF-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.95
Rot. Bonds1

About 1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane

1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane (PubChem CID 135020268) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane.

Molecular Properties

Compound Name1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane
PubChem CID135020268
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane
SMILESc1ccc(C23CC4OCC2C3CO4)cc1
InChIInChI=1S/C13H14O2/c1-2-4-9(5-3-1)13-6-12-14-7-10(13)11(13)8-15-12/h1-5,10-12H,6-8H2
InChIKeyQUWGTZDDLCRTIF-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S,6R,7S)-7-chloro-1-phenylbicyclo[4.1.0]heptane
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[(1R)-2-cyclopropyl-2-phenylcyclopropyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane?
The IUPAC name of 1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane (CID 135020268) is 1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane.
What is the SMILES notation for 1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane?
The canonical SMILES for 1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane is c1ccc(C23CC4OCC2C3CO4)cc1.
What is the InChIKey of 1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane?
The InChIKey is QUWGTZDDLCRTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-4-9(5-3-1)13-6-12-14-7-10(13)11(13)8-15-12/h1-5,10-12H,6-8H2.
What are the key properties of 1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane?
1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane has a molecular weight of 202.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4,6-dioxatricyclo[3.3.1.02,8]nonane is sourced from PubChem (CID 135020268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).