8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol

C23H26O8 — CID 11842161

IUPAC8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
SMILESCOc1ccc(COC2C3OC4OC(C3O)C(OCc3ccc(OC)cc3)C2O4)cc1
InChIInChI=1S/C23H26O8/c1-25-15-7-3-13(4-8-15)11-27-20-18-17(24)19-21(22(20)31-23(29-18)30-19)28-12-14-5-9-16(26-2)10-6-14/h3-10,17-24H,11-12H2,1-2H3
InChIKeyOOEMZLZGBFOQOC-UHFFFAOYSA-N
MW430.45 g/mol
LogP2.02
Rot. Bonds8

About 8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol

8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol (PubChem CID 11842161) has the molecular formula C23H26O8 and a molecular weight of 430.45 g/mol. Its IUPAC name is 8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol.

Molecular Properties

Compound Name8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
PubChem CID11842161
Molecular FormulaC23H26O8
Molecular Weight430.45 g/mol
Exact Mass430.16
IUPAC Name8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
SMILESCOc1ccc(COC2C3OC4OC(C3O)C(OCc3ccc(OC)cc3)C2O4)cc1
InChIInChI=1S/C23H26O8/c1-25-15-7-3-13(4-8-15)11-27-20-18-17(24)19-21(22(20)31-23(29-18)30-19)28-12-14-5-9-16(26-2)10-6-14/h3-10,17-24H,11-12H2,1-2H3
InChIKeyOOEMZLZGBFOQOC-UHFFFAOYSA-N
XLogP2.02
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
(1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
CID 101371356
(1R,3S,7R,9R)-8-[(4-methoxyphenyl)methoxy]-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 11646597
methyl 4-[[(5S,7R,8R,9S)-8,9-dihydroxy-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-yl]oxymethyl]benzoate
CID 11325216
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611
(3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol
CID 11762365
(2R,3R,4S,5S,6S)-5-[(4-methoxyphenyl)methoxy]-6-methyl-2,4-bis(phenylmethoxy)oxan-3-ol
CID 102237778
(1R,3S,4R,6R)-5-[(4-methoxyphenyl)methoxy]-2,4,6-tris(phenylmethoxy)cyclohexane-1,3-diol
CID 11071884
(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol
CID 122398669
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(1S,2R,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5,6-tris(prop-2-enoxy)cyclohexane-1,2-diol
CID 10502229
(2R,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-[(4-methoxyphenyl)methoxy]oxolane-2,3-diol
CID 171126723

Frequently Asked Questions

What is the IUPAC name of 8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol?
The IUPAC name of 8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol (CID 11842161) is 8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol.
What is the SMILES notation for 8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol?
The canonical SMILES for 8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol is COc1ccc(COC2C3OC4OC(C3O)C(OCc3ccc(OC)cc3)C2O4)cc1.
What is the InChIKey of 8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol?
The InChIKey is OOEMZLZGBFOQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O8/c1-25-15-7-3-13(4-8-15)11-27-20-18-17(24)19-21(22(20)31-23(29-18)30-19)28-12-14-5-9-16(26-2)10-6-14/h3-10,17-24H,11-12H2,1-2H3.
What are the key properties of 8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol?
8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol has a molecular weight of 430.45 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol is sourced from PubChem (CID 11842161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).