(1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one

C34H32O2 — CID 122377578

IUPAC(1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one
SMILESO=C1C[C@@]2(Cc3ccccc3)[C@@H](OCc3ccccc3)C[C@H](c3ccccc3)[C@@]12Cc1ccccc1
InChIInChI=1S/C34H32O2/c35-31-24-33(22-26-13-5-1-6-14-26)32(36-25-28-17-9-3-10-18-28)21-30(29-19-11-4-12-20-29)34(31,33)23-27-15-7-2-8-16-27/h1-20,30,32H,21-25H2/t30-,32+,33+,34+/m1/s1
InChIKeyFEYYYWYCVXRCFI-ZQTBNDFDSA-N
MW472.63 g/mol
LogP7.19
Rot. Bonds8

About (1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one

(1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one (PubChem CID 122377578) has the molecular formula C34H32O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is (1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name(1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one
PubChem CID122377578
Molecular FormulaC34H32O2
Molecular Weight472.63 g/mol
Exact Mass472.24
IUPAC Name(1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one
SMILESO=C1C[C@@]2(Cc3ccccc3)[C@@H](OCc3ccccc3)C[C@H](c3ccccc3)[C@@]12Cc1ccccc1
InChIInChI=1S/C34H32O2/c35-31-24-33(22-26-13-5-1-6-14-26)32(36-25-28-17-9-3-10-18-28)21-30(29-19-11-4-12-20-29)34(31,33)23-27-15-7-2-8-16-27/h1-20,30,32H,21-25H2/t30-,32+,33+,34+/m1/s1
InChIKeyFEYYYWYCVXRCFI-ZQTBNDFDSA-N
XLogP7.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one?
The IUPAC name of (1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one (CID 122377578) is (1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for (1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one?
The canonical SMILES for (1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one is O=C1C[C@@]2(Cc3ccccc3)[C@@H](OCc3ccccc3)C[C@H](c3ccccc3)[C@@]12Cc1ccccc1.
What is the InChIKey of (1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one?
The InChIKey is FEYYYWYCVXRCFI-ZQTBNDFDSA-N. The full InChI is InChI=1S/C34H32O2/c35-31-24-33(22-26-13-5-1-6-14-26)32(36-25-28-17-9-3-10-18-28)21-30(29-19-11-4-12-20-29)34(31,33)23-27-15-7-2-8-16-27/h1-20,30,32H,21-25H2/t30-,32+,33+,34+/m1/s1.
What are the key properties of (1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one?
(1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one has a molecular weight of 472.63 g/mol, XLogP of 7.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5R)-1,5-dibenzyl-4-phenyl-2-phenylmethoxybicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 122377578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).