(7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene

C22H20O2 — CID 10591514

IUPAC(7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene
SMILESCO[C@]1(c2ccccc2)c2ccccc2[C@@]1(OC)c1ccccc1
InChIInChI=1S/C22H20O2/c1-23-21(17-11-5-3-6-12-17)19-15-9-10-16-20(19)22(21,24-2)18-13-7-4-8-14-18/h3-16H,1-2H3/t21-,22+
InChIKeyZTTUQLPDFGPKEA-SZPZYZBQSA-N
MW316.40 g/mol
LogP4.48
Rot. Bonds4

About (7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene

(7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 10591514) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name(7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene
PubChem CID10591514
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name(7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene
SMILESCO[C@]1(c2ccccc2)c2ccccc2[C@@]1(OC)c1ccccc1
InChIInChI=1S/C22H20O2/c1-23-21(17-11-5-3-6-12-17)19-15-9-10-16-20(19)22(21,24-2)18-13-7-4-8-14-18/h3-16H,1-2H3/t21-,22+
InChIKeyZTTUQLPDFGPKEA-SZPZYZBQSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of (7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene (CID 10591514) is (7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for (7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for (7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene is CO[C@]1(c2ccccc2)c2ccccc2[C@@]1(OC)c1ccccc1.
What is the InChIKey of (7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is ZTTUQLPDFGPKEA-SZPZYZBQSA-N. The full InChI is InChI=1S/C22H20O2/c1-23-21(17-11-5-3-6-12-17)19-15-9-10-16-20(19)22(21,24-2)18-13-7-4-8-14-18/h3-16H,1-2H3/t21-,22+.
What are the key properties of (7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene?
(7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 316.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 10591514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).