(3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane]

C26H26O2 — CID 155936191

IUPAC(3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane]
SMILESc1ccc(CC2(Cc3ccccc3)O[C@]3(CCCCO3)c3ccccc32)cc1
InChIInChI=1S/C26H26O2/c1-3-11-21(12-4-1)19-25(20-22-13-5-2-6-14-22)23-15-7-8-16-24(23)26(28-25)17-9-10-18-27-26/h1-8,11-16H,9-10,17-20H2/t26-/m1/s1
InChIKeyHPIJBEMMPCBFOK-AREMUKBSSA-N
MW370.49 g/mol
LogP5.75
Rot. Bonds4

About (3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane]

(3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane] (PubChem CID 155936191) has the molecular formula C26H26O2 and a molecular weight of 370.49 g/mol. Its IUPAC name is (3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane].

Molecular Properties

Compound Name(3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane]
PubChem CID155936191
Molecular FormulaC26H26O2
Molecular Weight370.49 g/mol
Exact Mass370.19
IUPAC Name(3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane]
SMILESc1ccc(CC2(Cc3ccccc3)O[C@]3(CCCCO3)c3ccccc32)cc1
InChIInChI=1S/C26H26O2/c1-3-11-21(12-4-1)19-25(20-22-13-5-2-6-14-22)23-15-7-8-16-24(23)26(28-25)17-9-10-18-27-26/h1-8,11-16H,9-10,17-20H2/t26-/m1/s1
InChIKeyHPIJBEMMPCBFOK-AREMUKBSSA-N
XLogP5.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane]?
The IUPAC name of (3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane] (CID 155936191) is (3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane].
What is the SMILES notation for (3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane]?
The canonical SMILES for (3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane] is c1ccc(CC2(Cc3ccccc3)O[C@]3(CCCCO3)c3ccccc32)cc1.
What is the InChIKey of (3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane]?
The InChIKey is HPIJBEMMPCBFOK-AREMUKBSSA-N. The full InChI is InChI=1S/C26H26O2/c1-3-11-21(12-4-1)19-25(20-22-13-5-2-6-14-22)23-15-7-8-16-24(23)26(28-25)17-9-10-18-27-26/h1-8,11-16H,9-10,17-20H2/t26-/m1/s1.
What are the key properties of (3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane]?
(3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane] has a molecular weight of 370.49 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-dibenzylspiro[2-benzofuran-3,2'-oxane] is sourced from PubChem (CID 155936191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).