2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene

C15H12O2 — CID 155934792

IUPAC2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
SMILESc1ccc2c(c1)CC1OC(O2)c2ccccc21
InChIInChI=1S/C15H12O2/c1-4-8-13-10(5-1)9-14-11-6-2-3-7-12(11)15(16-13)17-14/h1-8,14-15H,9H2
InChIKeyVSFPDTRWYKBQJN-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.39
Rot. Bonds

About 2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene

2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene (PubChem CID 155934792) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene.

Molecular Properties

Compound Name2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
PubChem CID155934792
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
SMILESc1ccc2c(c1)CC1OC(O2)c2ccccc21
InChIInChI=1S/C15H12O2/c1-4-8-13-10(5-1)9-14-11-6-2-3-7-12(11)15(16-13)17-14/h1-8,14-15H,9H2
InChIKeyVSFPDTRWYKBQJN-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene with MolForge

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Related Compounds

2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene
CID 123821193
(1S,6R,14R,19S)-27,28-dioxaheptacyclo[17.7.1.16,14.02,17.04,15.07,12.020,25]octacosa-2(17),3,7,9,11,15,20,22,24-nonaene
CID 139054065
2-[2-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran
CID 141104992
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
2-(2,3-dihydro-1-benzofuran-2-yloxy)-2,3-dihydro-1-benzofuran
CID 141494983
(1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol
CID 139180489
(2R)-9-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one
CID 160690273
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol
CID 66363431
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane
CID 90989077

Frequently Asked Questions

What is the IUPAC name of 2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene?
The IUPAC name of 2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene (CID 155934792) is 2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene.
What is the SMILES notation for 2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene?
The canonical SMILES for 2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene is c1ccc2c(c1)CC1OC(O2)c2ccccc21.
What is the InChIKey of 2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene?
The InChIKey is VSFPDTRWYKBQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-4-8-13-10(5-1)9-14-11-6-2-3-7-12(11)15(16-13)17-14/h1-8,14-15H,9H2.
What are the key properties of 2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene?
2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene has a molecular weight of 224.26 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,17-dioxatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene is sourced from PubChem (CID 155934792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).