10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one

C19H14O3 — CID 176586497

IUPAC10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one
SMILESCOc1cc2cccc3c2c(c1OC)-c1ccc(=O)ccc1-3
InChIInChI=1S/C19H14O3/c1-21-16-10-11-4-3-5-14-13-8-6-12(20)7-9-15(13)18(17(11)14)19(16)22-2/h3-10H,1-2H3
InChIKeyJVHKMMRGVPOQGD-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.86
Rot. Bonds2

About 10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one

10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one (PubChem CID 176586497) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one.

Molecular Properties

Compound Name10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one
PubChem CID176586497
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one
SMILESCOc1cc2cccc3c2c(c1OC)-c1ccc(=O)ccc1-3
InChIInChI=1S/C19H14O3/c1-21-16-10-11-4-3-5-14-13-8-6-12(20)7-9-15(13)18(17(11)14)19(16)22-2/h3-10H,1-2H3
InChIKeyJVHKMMRGVPOQGD-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one?
The IUPAC name of 10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one (CID 176586497) is 10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one.
What is the SMILES notation for 10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one?
The canonical SMILES for 10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one is COc1cc2cccc3c2c(c1OC)-c1ccc(=O)ccc1-3.
What is the InChIKey of 10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one?
The InChIKey is JVHKMMRGVPOQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c1-21-16-10-11-4-3-5-14-13-8-6-12(20)7-9-15(13)18(17(11)14)19(16)22-2/h3-10H,1-2H3.
What are the key properties of 10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one?
10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one has a molecular weight of 290.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-dimethoxytetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9(17),10,12,14-octaen-5-one is sourced from PubChem (CID 176586497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).