(1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol

C15H18O4 — CID 130283147

IUPAC(1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol
SMILESOC1CC2[C@@H](C[C@@H]3OC(c4ccccc4)OC[C@@H]23)O1
InChIInChI=1S/C15H18O4/c16-14-6-10-11-8-17-15(9-4-2-1-3-5-9)19-13(11)7-12(10)18-14/h1-5,10-16H,6-8H2/t10?,11-,12+,13-,14?,15?/m0/s1
InChIKeyLHBOUJHGCJAIPU-AKGKQIBUSA-N
MW262.30 g/mol
LogP1.84
Rot. Bonds1

About (1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol

(1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol (PubChem CID 130283147) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is (1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol.

Molecular Properties

Compound Name(1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol
PubChem CID130283147
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name(1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol
SMILESOC1CC2[C@@H](C[C@@H]3OC(c4ccccc4)OC[C@@H]23)O1
InChIInChI=1S/C15H18O4/c16-14-6-10-11-8-17-15(9-4-2-1-3-5-9)19-13(11)7-12(10)18-14/h1-5,10-16H,6-8H2/t10?,11-,12+,13-,14?,15?/m0/s1
InChIKeyLHBOUJHGCJAIPU-AKGKQIBUSA-N
XLogP1.84
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol with MolForge

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Related Compounds

2-phenyl-1,3-dioxolan-4-ol
CID 23288237
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CID 90322628
(4S,5R)-4-[(4R,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 102461331
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099
(8aS)-2-phenyl-4a,7,8,8a-tetrahydro-4H-1,3-benzodioxin-7-ol
CID 58388646
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
CID 15481441
4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 630953
(2R,4aR,8S,8aS)-2-phenyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 11053563
(8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 45050715
(2S,4aR,7S,8R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 97267898
(1R,3R,7R,9R,11S)-11-phenyl-2,6,10,12-tetraoxatricyclo[7.4.0.03,7]tridecan-5-one
CID 24895717

Frequently Asked Questions

What is the IUPAC name of (1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol?
The IUPAC name of (1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol (CID 130283147) is (1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol.
What is the SMILES notation for (1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol?
The canonical SMILES for (1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol is OC1CC2[C@@H](C[C@@H]3OC(c4ccccc4)OC[C@@H]23)O1.
What is the InChIKey of (1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol?
The InChIKey is LHBOUJHGCJAIPU-AKGKQIBUSA-N. The full InChI is InChI=1S/C15H18O4/c16-14-6-10-11-8-17-15(9-4-2-1-3-5-9)19-13(11)7-12(10)18-14/h1-5,10-16H,6-8H2/t10?,11-,12+,13-,14?,15?/m0/s1.
What are the key properties of (1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol?
(1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol has a molecular weight of 262.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol is sourced from PubChem (CID 130283147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).