(1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene

C13H14O — CID 102075089

IUPAC(1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccccc2)C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C13H14O/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,8,12-13H,6-7,9H2/t12-,13+/m0/s1
InChIKeyGWGPVXLEUGWAPG-QWHCGFSZSA-N
MW186.25 g/mol
LogP3.02
Rot. Bonds1

About (1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene

(1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene (PubChem CID 102075089) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name(1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene
PubChem CID102075089
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccccc2)C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C13H14O/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,8,12-13H,6-7,9H2/t12-,13+/m0/s1
InChIKeyGWGPVXLEUGWAPG-QWHCGFSZSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-phenylphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
CID 171974780
4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171968745
3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
CID 171974524
3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
CID 171973332
3-anthracen-9-yl-8-oxabicyclo[3.2.1]oct-2-ene
CID 171973362
3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene
CID 171974798
(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene
CID 92980020
(1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene
CID 10923696
3-[(3-phenylmethoxyphenyl)methyl]-8-oxabicyclo[3.2.1]oct-2-ene
CID 171973078
4-phenylcyclopent-3-ene-1,2-diol
CID 85106712
3-phenyl-9-azabicyclo[3.3.1]non-2-ene
CID 70023991
8-oxabicyclo[3.2.1]oct-2-en-3-yl trifluoromethanesulfonate
CID 150600515

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene?
The IUPAC name of (1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene (CID 102075089) is (1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for (1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for (1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene is C1=C(c2ccccc2)C[C@H]2CC[C@@H]1O2.
What is the InChIKey of (1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene?
The InChIKey is GWGPVXLEUGWAPG-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H14O/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,8,12-13H,6-7,9H2/t12-,13+/m0/s1.
What are the key properties of (1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene?
(1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene has a molecular weight of 186.25 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 102075089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).