15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol

C21H26O5 — CID 45360038

IUPAC15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol
SMILESCOc1c2cc(c(O)c1OC)-c1cc(ccc1O)CCC(O)CCCC2
InChIInChI=1S/C21H26O5/c1-25-20-14-5-3-4-6-15(22)9-7-13-8-10-18(23)16(11-13)17(12-14)19(24)21(20)26-2/h8,10-12,15,22-24H,3-7,9H2,1-2H3
InChIKeyUTKZLHKWTSXNQI-UHFFFAOYSA-N
MW358.43 g/mol
LogP3.80
Rot. Bonds2

About 15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol

15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol (PubChem CID 45360038) has the molecular formula C21H26O5 and a molecular weight of 358.43 g/mol. Its IUPAC name is 15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol.

Molecular Properties

Compound Name15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol
PubChem CID45360038
Molecular FormulaC21H26O5
Molecular Weight358.43 g/mol
Exact Mass358.18
IUPAC Name15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol
SMILESCOc1c2cc(c(O)c1OC)-c1cc(ccc1O)CCC(O)CCCC2
InChIInChI=1S/C21H26O5/c1-25-20-14-5-3-4-6-15(22)9-7-13-8-10-18(23)16(11-13)17(12-14)19(24)21(20)26-2/h8,10-12,15,22-24H,3-7,9H2,1-2H3
InChIKeyUTKZLHKWTSXNQI-UHFFFAOYSA-N
XLogP3.80
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol?
The IUPAC name of 15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol (CID 45360038) is 15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol.
What is the SMILES notation for 15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol?
The canonical SMILES for 15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol is COc1c2cc(c(O)c1OC)-c1cc(ccc1O)CCC(O)CCCC2.
What is the InChIKey of 15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol?
The InChIKey is UTKZLHKWTSXNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O5/c1-25-20-14-5-3-4-6-15(22)9-7-13-8-10-18(23)16(11-13)17(12-14)19(24)21(20)26-2/h8,10-12,15,22-24H,3-7,9H2,1-2H3.
What are the key properties of 15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol?
15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol has a molecular weight of 358.43 g/mol, XLogP of 3.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol is sourced from PubChem (CID 45360038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).