5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

C18H20O2 — CID 15073818

IUPAC5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESCOc1cc2ccc1CCc1ccc(cc1OC)CC2
InChIInChI=1S/C18H20O2/c1-19-17-11-13-3-4-14-6-8-16(18(12-14)20-2)10-9-15(17)7-5-13/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyXNMXHQMIMNRACN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.59
Rot. Bonds2

About 5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (PubChem CID 15073818) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.

Molecular Properties

Compound Name5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
PubChem CID15073818
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESCOc1cc2ccc1CCc1ccc(cc1OC)CC2
InChIInChI=1S/C18H20O2/c1-19-17-11-13-3-4-14-6-8-16(18(12-14)20-2)10-9-15(17)7-5-13/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyXNMXHQMIMNRACN-UHFFFAOYSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene with MolForge

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Related Compounds

6,17,23,34-tetramethoxypentacyclo[29.3.1.15,9.114,18.122,26]octatriaconta-1(34),5,7,9(38),14(37),15,17,22,24,26(36),31(35),32-dodecaene
CID 11802005
5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 11488347
33,35-dimethoxy-13,20-dithiaheptacyclo[30.2.2.215,18.04,27.06,29.09,22.011,24]octatriaconta-1(34),4(27),5,9,11(24),15,17,22,28,32,35,37-dodecaene
CID 12668703
7,16-dimethoxytetracyclo[11.3.1.16,10.02,5]octadeca-1(16),6,8,10(18),13(17),14-hexaene
CID 15074240
6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
CID 172869288
methyl tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxylate
CID 4200703
(4-methoxyphenyl)-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)iodanium
CID 88910394
6-bromo-16-methoxytricyclo[9.2.2.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
CID 15474853
6,7-dimethoxy-3-methyl-1,2-dihydronaphthalene
CID 10703379
5,11-dibromo-13,15-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaene
CID 129117919
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960

Frequently Asked Questions

What is the IUPAC name of 5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The IUPAC name of 5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (CID 15073818) is 5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.
What is the SMILES notation for 5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The canonical SMILES for 5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is COc1cc2ccc1CCc1ccc(cc1OC)CC2.
What is the InChIKey of 5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The InChIKey is XNMXHQMIMNRACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-19-17-11-13-3-4-14-6-8-16(18(12-14)20-2)10-9-15(17)7-5-13/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene has a molecular weight of 268.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is sourced from PubChem (CID 15073818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).