1-phenyl-2-oxabicyclo[4.1.0]heptane

C12H14O — CID 154332997

IUPAC1-phenyl-2-oxabicyclo[4.1.0]heptane
SMILESc1ccc(C23CC2CCCO3)cc1
InChIInChI=1S/C12H14O/c1-2-5-10(6-3-1)12-9-11(12)7-4-8-13-12/h1-3,5-6,11H,4,7-9H2
InChIKeyHGXQYTHGFBSSJJ-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.71
Rot. Bonds1

About 1-phenyl-2-oxabicyclo[4.1.0]heptane

1-phenyl-2-oxabicyclo[4.1.0]heptane (PubChem CID 154332997) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-phenyl-2-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-phenyl-2-oxabicyclo[4.1.0]heptane
PubChem CID154332997
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-phenyl-2-oxabicyclo[4.1.0]heptane
SMILESc1ccc(C23CC2CCCO3)cc1
InChIInChI=1S/C12H14O/c1-2-5-10(6-3-1)12-9-11(12)7-4-8-13-12/h1-3,5-6,11H,4,7-9H2
InChIKeyHGXQYTHGFBSSJJ-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane
CID 159892140
1-phenylbicyclo[4.1.0]heptane
CID 582374
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CID 611743
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CID 174475257
(2R)-2-(2-phenyl-1,3-dioxan-2-yl)piperidine
CID 125497415
[(2S,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methyl-trimethylazanium
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2-phenyl-2-propan-2-yl-1,3-dioxane
CID 89439443
bis(2-phenyl-1,3-dioxan-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-phenyl-2-oxabicyclo[4.1.0]heptane (CID 154332997) is 1-phenyl-2-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-phenyl-2-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-phenyl-2-oxabicyclo[4.1.0]heptane is c1ccc(C23CC2CCCO3)cc1.
What is the InChIKey of 1-phenyl-2-oxabicyclo[4.1.0]heptane?
The InChIKey is HGXQYTHGFBSSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-2-5-10(6-3-1)12-9-11(12)7-4-8-13-12/h1-3,5-6,11H,4,7-9H2.
What are the key properties of 1-phenyl-2-oxabicyclo[4.1.0]heptane?
1-phenyl-2-oxabicyclo[4.1.0]heptane has a molecular weight of 174.24 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 154332997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).