(1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol

C12H14O2 — CID 131086080

IUPAC(1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol
SMILESO[C@H]1C[C@@H](c2ccccc2)O[C@H]2C[C@H]21
InChIInChI=1S/C12H14O2/c13-10-7-11(14-12-6-9(10)12)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10-,11-,12-/m0/s1
InChIKeyJSVCUJQZFBCHLY-BJDJZHNGSA-N
MW190.24 g/mol
LogP1.90
Rot. Bonds1

About (1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol

(1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol (PubChem CID 131086080) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol.

Molecular Properties

Compound Name(1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol
PubChem CID131086080
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol
SMILESO[C@H]1C[C@@H](c2ccccc2)O[C@H]2C[C@H]21
InChIInChI=1S/C12H14O2/c13-10-7-11(14-12-6-9(10)12)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10-,11-,12-/m0/s1
InChIKeyJSVCUJQZFBCHLY-BJDJZHNGSA-N
XLogP1.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol
CID 130149634
(3S,5R)-5-phenyloxolan-3-ol
CID 97052112
(2S,3S,5R)-3-bromo-5-phenyloxolan-2-ol
CID 23253721
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
(2R,4S,6R)-2-(furan-2-yl)-6-phenyloxan-4-ol
CID 44519098
4-phenyloxetane-2-carboxylic acid
CID 20744932
(2S,4S)-2-phenyloxan-4-ol
CID 67658519
(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol
CID 101086395
(2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 134961607
(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol
CID 101086399
2-phenyloxirane
CID 7276
(3S)-3-hydroxy-5-phenyloxolan-2-one
CID 46197935

Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol?
The IUPAC name of (1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol (CID 131086080) is (1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol.
What is the SMILES notation for (1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol?
The canonical SMILES for (1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol is O[C@H]1C[C@@H](c2ccccc2)O[C@H]2C[C@H]21.
What is the InChIKey of (1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol?
The InChIKey is JSVCUJQZFBCHLY-BJDJZHNGSA-N. The full InChI is InChI=1S/C12H14O2/c13-10-7-11(14-12-6-9(10)12)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10-,11-,12-/m0/s1.
What are the key properties of (1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol?
(1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol has a molecular weight of 190.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5S,6S)-3-phenyl-2-oxabicyclo[4.1.0]heptan-5-ol is sourced from PubChem (CID 131086080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).