(11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol

C21H24O4 — CID 134236290

IUPAC(11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol
SMILESCOc1cc2c(c(O)c1OC)CCC[C@H]1CCCc3ccc(O)c-2c31
InChIInChI=1S/C21H24O4/c1-24-17-11-15-14(20(23)21(17)25-2)8-4-7-12-5-3-6-13-9-10-16(22)19(15)18(12)13/h9-12,22-23H,3-8H2,1-2H3/t12-/m1/s1
InChIKeyBIPCNTQVERJSGX-GFCCVEGCSA-N
MW340.42 g/mol
LogP4.54
Rot. Bonds2

About (11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol

(11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol (PubChem CID 134236290) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is (11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol.

Molecular Properties

Compound Name(11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol
PubChem CID134236290
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name(11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol
SMILESCOc1cc2c(c(O)c1OC)CCC[C@H]1CCCc3ccc(O)c-2c31
InChIInChI=1S/C21H24O4/c1-24-17-11-15-14(20(23)21(17)25-2)8-4-7-12-5-3-6-13-9-10-16(22)19(15)18(12)13/h9-12,22-23H,3-8H2,1-2H3/t12-/m1/s1
InChIKeyBIPCNTQVERJSGX-GFCCVEGCSA-N
XLogP4.54
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol?
The IUPAC name of (11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol (CID 134236290) is (11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol.
What is the SMILES notation for (11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol?
The canonical SMILES for (11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol is COc1cc2c(c(O)c1OC)CCC[C@H]1CCCc3ccc(O)c-2c31.
What is the InChIKey of (11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol?
The InChIKey is BIPCNTQVERJSGX-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H24O4/c1-24-17-11-15-14(20(23)21(17)25-2)8-4-7-12-5-3-6-13-9-10-16(22)19(15)18(12)13/h9-12,22-23H,3-8H2,1-2H3/t12-/m1/s1.
What are the key properties of (11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol?
(11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol has a molecular weight of 340.42 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-4,5-dimethoxytetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),2,4,6,15(19),16-hexaene-6,18-diol is sourced from PubChem (CID 134236290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).