3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol

C27H26O6 — CID 73048472

IUPAC3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
SMILESOC1C2OC3(c4ccccc4)OC1C(OCc1ccccc1)C(O3)C2OCc1ccccc1
InChIInChI=1S/C27H26O6/c28-21-22-24(29-16-18-10-4-1-5-11-18)26-25(30-17-19-12-6-2-7-13-19)23(21)32-27(31-22,33-26)20-14-8-3-9-15-20/h1-15,21-26,28H,16-17H2
InChIKeyHUEOPLDJSCSYTC-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.53
Rot. Bonds7

About 3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol

3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol (PubChem CID 73048472) has the molecular formula C27H26O6 and a molecular weight of 446.50 g/mol. Its IUPAC name is 3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol.

Molecular Properties

Compound Name3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
PubChem CID73048472
Molecular FormulaC27H26O6
Molecular Weight446.50 g/mol
Exact Mass446.17
IUPAC Name3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
SMILESOC1C2OC3(c4ccccc4)OC1C(OCc1ccccc1)C(O3)C2OCc1ccccc1
InChIInChI=1S/C27H26O6/c28-21-22-24(29-16-18-10-4-1-5-11-18)26-25(30-17-19-12-6-2-7-13-19)23(21)32-27(31-22,33-26)20-14-8-3-9-15-20/h1-15,21-26,28H,16-17H2
InChIKeyHUEOPLDJSCSYTC-UHFFFAOYSA-N
XLogP3.53
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol with MolForge

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Related Compounds

(5S,7R,8R,9S)-6-ethyl-3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 46855383
(5R,7S,8R,9R)-3-butyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 71818496
(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-phenylmethoxy-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 14409479
(3aR,4R,5R,6S,7R,7aR)-2,2-dimethyl-4,7-bis(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5,6-diol
CID 10715972
(1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
CID 101371356
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(3aS,4S,5S,6R,7S,7aR)-2,2,5-trimethyl-6,7-bis(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-ol
CID 14375665
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(1R,5R,6R,7S,8S,9S)-3-butyl-8-[tert-butyl(dimethyl)silyl]oxy-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 102036233
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol?
The IUPAC name of 3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol (CID 73048472) is 3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol.
What is the SMILES notation for 3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol?
The canonical SMILES for 3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol is OC1C2OC3(c4ccccc4)OC1C(OCc1ccccc1)C(O3)C2OCc1ccccc1.
What is the InChIKey of 3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol?
The InChIKey is HUEOPLDJSCSYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O6/c28-21-22-24(29-16-18-10-4-1-5-11-18)26-25(30-17-19-12-6-2-7-13-19)23(21)32-27(31-22,33-26)20-14-8-3-9-15-20/h1-15,21-26,28H,16-17H2.
What are the key properties of 3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol?
3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol has a molecular weight of 446.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol is sourced from PubChem (CID 73048472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).