7-phenyl-2,5-dioxabicyclo[4.1.0]heptane

C11H12O2 — CID 12910404

IUPAC7-phenyl-2,5-dioxabicyclo[4.1.0]heptane
SMILESc1ccc(C2C3OCCOC32)cc1
InChIInChI=1S/C11H12O2/c1-2-4-8(5-3-1)9-10-11(9)13-7-6-12-10/h1-5,9-11H,6-7H2
InChIKeySQPGZSUXWKWPEW-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.57
Rot. Bonds1

About 7-phenyl-2,5-dioxabicyclo[4.1.0]heptane

7-phenyl-2,5-dioxabicyclo[4.1.0]heptane (PubChem CID 12910404) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 7-phenyl-2,5-dioxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-phenyl-2,5-dioxabicyclo[4.1.0]heptane
PubChem CID12910404
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name7-phenyl-2,5-dioxabicyclo[4.1.0]heptane
SMILESc1ccc(C2C3OCCOC32)cc1
InChIInChI=1S/C11H12O2/c1-2-4-8(5-3-1)9-10-11(9)13-7-6-12-10/h1-5,9-11H,6-7H2
InChIKeySQPGZSUXWKWPEW-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-phenyloxiran-2-yl)-1,3-dioxolane
CID 15785878
(1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
CID 101092394
(1R,5R,7R)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
CID 101092393
(7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
CID 101141161
2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane
CID 72810386
2-[(1S,2R,3R,4R)-3-phenyl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane
CID 101236572
(2R,3S,4S,5R)-2,3,4,5-tetraphenyloxolane
CID 102288914
2-phenyloxirane
CID 7276
2-phenyl-1,3-dioxonane
CID 70602118
(2R,3S)-2,3-diphenylmorpholine
CID 56957923
3,4-diphenyloxolan-2-ol
CID 13262521
diphenyliodanium;hydroiodide
CID 54604341

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2,5-dioxabicyclo[4.1.0]heptane?
The IUPAC name of 7-phenyl-2,5-dioxabicyclo[4.1.0]heptane (CID 12910404) is 7-phenyl-2,5-dioxabicyclo[4.1.0]heptane.
What is the SMILES notation for 7-phenyl-2,5-dioxabicyclo[4.1.0]heptane?
The canonical SMILES for 7-phenyl-2,5-dioxabicyclo[4.1.0]heptane is c1ccc(C2C3OCCOC32)cc1.
What is the InChIKey of 7-phenyl-2,5-dioxabicyclo[4.1.0]heptane?
The InChIKey is SQPGZSUXWKWPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-4-8(5-3-1)9-10-11(9)13-7-6-12-10/h1-5,9-11H,6-7H2.
What are the key properties of 7-phenyl-2,5-dioxabicyclo[4.1.0]heptane?
7-phenyl-2,5-dioxabicyclo[4.1.0]heptane has a molecular weight of 176.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2,5-dioxabicyclo[4.1.0]heptane is sourced from PubChem (CID 12910404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).