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

C20H20O — CID 135062463

IUPAC(1S,5R)-5-methyl-1,3-diphenyl-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC[C@@]12CC[C@@](c3ccccc3)(C=C(c3ccccc3)C1)O2
InChIInChI=1S/C20H20O/c1-19-12-13-20(21-19,18-10-6-3-7-11-18)15-17(14-19)16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3/t19-,20+/m1/s1
InChIKeyISWZMELZHQUWLZ-UXHICEINSA-N
MW276.38 g/mol
LogP4.94
Rot. Bonds2

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

(1S,5R)-5-methyl-1,3-diphenyl-8-oxabicyclo[3.2.1]oct-2-ene (PubChem CID 135062463) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is (1S,5R)-5-methyl-1,3-diphenyl-8-oxabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name(1S,5R)-5-methyl-1,3-diphenyl-8-oxabicyclo[3.2.1]oct-2-ene
PubChem CID135062463
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name(1S,5R)-5-methyl-1,3-diphenyl-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC[C@@]12CC[C@@](c3ccccc3)(C=C(c3ccccc3)C1)O2
InChIInChI=1S/C20H20O/c1-19-12-13-20(21-19,18-10-6-3-7-11-18)15-17(14-19)16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3/t19-,20+/m1/s1
InChIKeyISWZMELZHQUWLZ-UXHICEINSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3,6,6-triphenyl-2,5-dihydrothiopyran
CID 100928447
(2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone
CID 15402871
2,2,5-triphenyl-3,4-dihydropyrrole
CID 11289490
2,2-dimethyl-1-(4-phenylphenyl)cyclohexan-1-ol
CID 79841974
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;tris(1,1'-biphenyl)
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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-5-methyl-1,3-diphenyl-8-oxabicyclo[3.2.1]oct-2-ene?
The IUPAC name of (1S,5R)-5-methyl-1,3-diphenyl-8-oxabicyclo[3.2.1]oct-2-ene (CID 135062463) is (1S,5R)-5-methyl-1,3-diphenyl-8-oxabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for (1S,5R)-5-methyl-1,3-diphenyl-8-oxabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for (1S,5R)-5-methyl-1,3-diphenyl-8-oxabicyclo[3.2.1]oct-2-ene is C[C@@]12CC[C@@](c3ccccc3)(C=C(c3ccccc3)C1)O2.
What is the InChIKey of (1S,5R)-5-methyl-1,3-diphenyl-8-oxabicyclo[3.2.1]oct-2-ene?
The InChIKey is ISWZMELZHQUWLZ-UXHICEINSA-N. The full InChI is InChI=1S/C20H20O/c1-19-12-13-20(21-19,18-10-6-3-7-11-18)15-17(14-19)16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3/t19-,20+/m1/s1.
What are the key properties of (1S,5R)-5-methyl-1,3-diphenyl-8-oxabicyclo[3.2.1]oct-2-ene?
(1S,5R)-5-methyl-1,3-diphenyl-8-oxabicyclo[3.2.1]oct-2-ene has a molecular weight of 276.38 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-5-methyl-1,3-diphenyl-8-oxabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 135062463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).