6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol

C17H16O7 — CID 150683740

IUPAC6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol
SMILESCOc1c(O)ccc2c1OCC1c3cc(ccc3O)OCOC21O
InChIInChI=1S/C17H16O7/c1-21-16-14(19)5-3-11-15(16)22-7-12-10-6-9(2-4-13(10)18)23-8-24-17(11,12)20/h2-6,12,18-20H,7-8H2,1H3
InChIKeyJIKKCUFZJCTZAR-UHFFFAOYSA-N
MW332.31 g/mol
LogP1.79
Rot. Bonds1

About 6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol

6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol (PubChem CID 150683740) has the molecular formula C17H16O7 and a molecular weight of 332.31 g/mol. Its IUPAC name is 6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol.

Molecular Properties

Compound Name6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol
PubChem CID150683740
Molecular FormulaC17H16O7
Molecular Weight332.31 g/mol
Exact Mass332.09
IUPAC Name6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol
SMILESCOc1c(O)ccc2c1OCC1c3cc(ccc3O)OCOC21O
InChIInChI=1S/C17H16O7/c1-21-16-14(19)5-3-11-15(16)22-7-12-10-6-9(2-4-13(10)18)23-8-24-17(11,12)20/h2-6,12,18-20H,7-8H2,1H3
InChIKeyJIKKCUFZJCTZAR-UHFFFAOYSA-N
XLogP1.79
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol?
The IUPAC name of 6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol (CID 150683740) is 6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol.
What is the SMILES notation for 6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol?
The canonical SMILES for 6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol is COc1c(O)ccc2c1OCC1c3cc(ccc3O)OCOC21O.
What is the InChIKey of 6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol?
The InChIKey is JIKKCUFZJCTZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O7/c1-21-16-14(19)5-3-11-15(16)22-7-12-10-6-9(2-4-13(10)18)23-8-24-17(11,12)20/h2-6,12,18-20H,7-8H2,1H3.
What are the key properties of 6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol?
6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol has a molecular weight of 332.31 g/mol, XLogP of 1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4,12,14-trioxatetracyclo[13.3.1.02,11.05,10]nonadeca-1(18),5(10),6,8,15(19),16-hexaene-7,11,18-triol is sourced from PubChem (CID 150683740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).