14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol

C18H16O6 — CID 74977213

IUPAC14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol
SMILESCOC1c2ccc(O)cc2OC2c3ccc4c(c3COC12)OCO4
InChIInChI=1S/C18H16O6/c1-20-16-11-3-2-9(19)6-14(11)24-17-10-4-5-13-15(23-8-22-13)12(10)7-21-18(16)17/h2-6,16-19H,7-8H2,1H3
InChIKeyUCGKJWSJSJGUBQ-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.84
Rot. Bonds1

About 14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol

14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol (PubChem CID 74977213) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol.

Molecular Properties

Compound Name14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol
PubChem CID74977213
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol
SMILESCOC1c2ccc(O)cc2OC2c3ccc4c(c3COC12)OCO4
InChIInChI=1S/C18H16O6/c1-20-16-11-3-2-9(19)6-14(11)24-17-10-4-5-13-15(23-8-22-13)12(10)7-21-18(16)17/h2-6,16-19H,7-8H2,1H3
InChIKeyUCGKJWSJSJGUBQ-UHFFFAOYSA-N
XLogP2.84
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol?
The IUPAC name of 14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol (CID 74977213) is 14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol.
What is the SMILES notation for 14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol?
The canonical SMILES for 14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol is COC1c2ccc(O)cc2OC2c3ccc4c(c3COC12)OCO4.
What is the InChIKey of 14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol?
The InChIKey is UCGKJWSJSJGUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-20-16-11-3-2-9(19)6-14(11)24-17-10-4-5-13-15(23-8-22-13)12(10)7-21-18(16)17/h2-6,16-19H,7-8H2,1H3.
What are the key properties of 14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol?
14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol has a molecular weight of 328.32 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-2(10),3,5(9),15(20),16,18-hexaen-18-ol is sourced from PubChem (CID 74977213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).