6-phenyl-3-oxabicyclo[3.2.0]heptane

C12H14O — CID 73299099

IUPAC6-phenyl-3-oxabicyclo[3.2.0]heptane
SMILESc1ccc(C2CC3COCC32)cc1
InChIInChI=1S/C12H14O/c1-2-4-9(5-3-1)11-6-10-7-13-8-12(10)11/h1-5,10-12H,6-8H2
InChIKeyWVGISEPCOYCPAN-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.44
Rot. Bonds1

About 6-phenyl-3-oxabicyclo[3.2.0]heptane

6-phenyl-3-oxabicyclo[3.2.0]heptane (PubChem CID 73299099) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 6-phenyl-3-oxabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-phenyl-3-oxabicyclo[3.2.0]heptane
PubChem CID73299099
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name6-phenyl-3-oxabicyclo[3.2.0]heptane
SMILESc1ccc(C2CC3COCC32)cc1
InChIInChI=1S/C12H14O/c1-2-4-9(5-3-1)11-6-10-7-13-8-12(10)11/h1-5,10-12H,6-8H2
InChIKeyWVGISEPCOYCPAN-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,4R,7R)-2-phenylbicyclo[2.2.1]heptan-7-ol
CID 102585788
2-(5-phenyl-2-bicyclo[2.2.1]heptanyl)oxirane
CID 90375400
(1S,6R)-6-phenyl-3-azabicyclo[3.2.0]heptane
CID 90760686
(2R,6S,8R)-8-phenyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 59164690
3-benzyl-6-phenyl-3-azabicyclo[3.2.0]heptane
CID 19963621
[(1S,2S)-2-[(1R,2S)-2-phenylcyclopropyl]cyclopropyl]methanol
CID 11137881
(5S,6R)-2,2-dimethyl-6-phenyl-3-oxabicyclo[3.2.0]heptane
CID 171904735
3-phenyl-4-propan-2-yloxolane
CID 85213034
CID 102445902
CID 102445902
(3R,4S)-3-phenyl-4-propan-2-yloxolane
CID 10631550
trimethyl-(2-phenylcyclopropyl)azanium
CID 3797998
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-oxabicyclo[3.2.0]heptane?
The IUPAC name of 6-phenyl-3-oxabicyclo[3.2.0]heptane (CID 73299099) is 6-phenyl-3-oxabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-phenyl-3-oxabicyclo[3.2.0]heptane?
The canonical SMILES for 6-phenyl-3-oxabicyclo[3.2.0]heptane is c1ccc(C2CC3COCC32)cc1.
What is the InChIKey of 6-phenyl-3-oxabicyclo[3.2.0]heptane?
The InChIKey is WVGISEPCOYCPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-2-4-9(5-3-1)11-6-10-7-13-8-12(10)11/h1-5,10-12H,6-8H2.
What are the key properties of 6-phenyl-3-oxabicyclo[3.2.0]heptane?
6-phenyl-3-oxabicyclo[3.2.0]heptane has a molecular weight of 174.24 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-oxabicyclo[3.2.0]heptane is sourced from PubChem (CID 73299099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).