7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene

C20H22O2 — CID 15074240

IUPAC7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene
SMILESCOc1ccc2cc1C1CCC1c1cc(ccc1OC)CC2
InChIInChI=1S/C20H22O2/c1-21-19-9-5-13-3-4-14-6-10-20(22-2)18(12-14)16-8-7-15(16)17(19)11-13/h5-6,9-12,15-16H,3-4,7-8H2,1-2H3
InChIKeyXWHNBZOWRPFHLI-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.46
Rot. Bonds2

About 7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene

7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene (PubChem CID 15074240) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene.

Molecular Properties

Compound Name7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene
PubChem CID15074240
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene
SMILESCOc1ccc2cc1C1CCC1c1cc(ccc1OC)CC2
InChIInChI=1S/C20H22O2/c1-21-19-9-5-13-3-4-14-6-10-20(22-2)18(12-14)16-8-7-15(16)17(19)11-13/h5-6,9-12,15-16H,3-4,7-8H2,1-2H3
InChIKeyXWHNBZOWRPFHLI-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene with MolForge

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Related Compounds

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trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
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CID 11802005
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CID 81016874
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CID 82781917
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CID 82782278
N-[[2-(5-fluoro-2-methoxyphenyl)cyclobutyl]methyl]propan-1-amine
CID 82782284
2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one
CID 83834380
2-(2-methoxy-5-methylphenyl)cycloheptane-1-carboxylic acid
CID 81008451

Frequently Asked Questions

What is the IUPAC name of 7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene?
The IUPAC name of 7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene (CID 15074240) is 7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene.
What is the SMILES notation for 7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene?
The canonical SMILES for 7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene is COc1ccc2cc1C1CCC1c1cc(ccc1OC)CC2.
What is the InChIKey of 7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene?
The InChIKey is XWHNBZOWRPFHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-21-19-9-5-13-3-4-14-6-10-20(22-2)18(12-14)16-8-7-15(16)17(19)11-13/h5-6,9-12,15-16H,3-4,7-8H2,1-2H3.
What are the key properties of 7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene?
7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene has a molecular weight of 294.39 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene is sourced from PubChem (CID 15074240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).