2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene

C19H20O2 — CID 123821193

IUPAC2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene
SMILESc1ccc2c(c1)CC1CCCC(Cc3ccccc3O1)O2
InChIInChI=1S/C19H20O2/c1-3-10-18-14(6-1)12-16-8-5-9-17(20-18)13-15-7-2-4-11-19(15)21-16/h1-4,6-7,10-11,16-17H,5,8-9,12-13H2
InChIKeyTZNJTYPAFLKTRR-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.16
Rot. Bonds

About 2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene

2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene (PubChem CID 123821193) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene.

Molecular Properties

Compound Name2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene
PubChem CID123821193
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene
SMILESc1ccc2c(c1)CC1CCCC(Cc3ccccc3O1)O2
InChIInChI=1S/C19H20O2/c1-3-10-18-14(6-1)12-16-8-5-9-17(20-18)13-15-7-2-4-11-19(15)21-16/h1-4,6-7,10-11,16-17H,5,8-9,12-13H2
InChIKeyTZNJTYPAFLKTRR-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene?
The IUPAC name of 2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene (CID 123821193) is 2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene.
What is the SMILES notation for 2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene?
The canonical SMILES for 2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene is c1ccc2c(c1)CC1CCCC(Cc3ccccc3O1)O2.
What is the InChIKey of 2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene?
The InChIKey is TZNJTYPAFLKTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-10-18-14(6-1)12-16-8-5-9-17(20-18)13-15-7-2-4-11-19(15)21-16/h1-4,6-7,10-11,16-17H,5,8-9,12-13H2.
What are the key properties of 2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene?
2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene has a molecular weight of 280.37 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene is sourced from PubChem (CID 123821193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).