(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane

C20H20O5 — CID 15481441

IUPAC(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
SMILESc1ccc([C@@H]2OC[C@@H]3O[C@@H]4CO[C@@H](c5ccccc5)O[C@H]4[C@@H]3O2)cc1
InChIInChI=1S/C20H20O5/c1-3-7-13(8-4-1)19-21-11-15-17(24-19)18-16(23-15)12-22-20(25-18)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2/t15-,16+,17-,18-,19-,20-/m1/s1
InChIKeyJBFCVEQMJHLWBQ-DNDRQTMDSA-N
MW340.38 g/mol
LogP2.98
Rot. Bonds2

About (1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane

(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane (PubChem CID 15481441) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is (1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane.

Molecular Properties

Compound Name(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
PubChem CID15481441
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
SMILESc1ccc([C@@H]2OC[C@@H]3O[C@@H]4CO[C@@H](c5ccccc5)O[C@H]4[C@@H]3O2)cc1
InChIInChI=1S/C20H20O5/c1-3-7-13(8-4-1)19-21-11-15-17(24-19)18-16(23-15)12-22-20(25-18)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2/t15-,16+,17-,18-,19-,20-/m1/s1
InChIKeyJBFCVEQMJHLWBQ-DNDRQTMDSA-N
XLogP2.98
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane with MolForge

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Related Compounds

(1R,2R,4R,7S,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 126969884
(2S,4S)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 58060694
(1R,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 144720661
4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 630953
4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 4094030
(4R,4aR,6R,8aS)-6-phenyl-4-[(4R)-2-phenyl-1,3-dioxolan-4-yl]-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 23252784
(2R,4R,5R,7R,10R)-5-methyl-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 118103900
(7S,8R)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 44514113
(1S,2S,4R,6S,7R,9R,12S)-7-methoxy-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 124908856
(1S,2S,4S,6R,7R,9R,12S)-7-methoxy-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 124908858
(1R,2S,4S,5S,7R)-5-methoxy-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 11076308
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane?
The IUPAC name of (1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane (CID 15481441) is (1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane.
What is the SMILES notation for (1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane?
The canonical SMILES for (1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane is c1ccc([C@@H]2OC[C@@H]3O[C@@H]4CO[C@@H](c5ccccc5)O[C@H]4[C@@H]3O2)cc1.
What is the InChIKey of (1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane?
The InChIKey is JBFCVEQMJHLWBQ-DNDRQTMDSA-N. The full InChI is InChI=1S/C20H20O5/c1-3-7-13(8-4-1)19-21-11-15-17(24-19)18-16(23-15)12-22-20(25-18)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2/t15-,16+,17-,18-,19-,20-/m1/s1.
What are the key properties of (1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane?
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane has a molecular weight of 340.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane is sourced from PubChem (CID 15481441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).