2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene

C16H16O2 — CID 135038714

IUPAC2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene
SMILESCOc1ccc2ccc(OC)c3c2c1CC=CC3
InChIInChI=1S/C16H16O2/c1-17-14-9-7-11-8-10-15(18-2)13-6-4-3-5-12(14)16(11)13/h3-4,7-10H,5-6H2,1-2H3
InChIKeyJHYRBKKQKWCCTJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.51
Rot. Bonds2

About 2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene

2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene (PubChem CID 135038714) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene.

Molecular Properties

Compound Name2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene
PubChem CID135038714
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene
SMILESCOc1ccc2ccc(OC)c3c2c1CC=CC3
InChIInChI=1S/C16H16O2/c1-17-14-9-7-11-8-10-15(18-2)13-6-4-3-5-12(14)16(11)13/h3-4,7-10H,5-6H2,1-2H3
InChIKeyJHYRBKKQKWCCTJ-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5,8-dihydronaphthalene-1,4-diol
CID 5315063
2,7-dimethoxynaphthalene-1,8-diamine
CID 12868710
1,8-bis(6-methoxypyren-1-yl)pyrene
CID 58908186
1,4,5,8-tetramethoxynaphthalene
CID 10220551
5,8-dimethoxyspiro[1H-naphthalene-4,1'-cyclobutane]
CID 118314439
3-ethoxy-4,5,6-trimethoxyphenanthrene
CID 16638082
3-methoxy-1,2-dihydrobenzo[j]aceanthrylene
CID 23615499
4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide
CID 18466214
1,2,8-trimethoxy-7-methylnaphthalene
CID 53254661
N-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)acetamide
CID 10355010
2,3-diiodo-1,4-dimethoxybenzene
CID 11653980
2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-2-ol
CID 84685964

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene?
The IUPAC name of 2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene (CID 135038714) is 2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene.
What is the SMILES notation for 2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene?
The canonical SMILES for 2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene is COc1ccc2ccc(OC)c3c2c1CC=CC3.
What is the InChIKey of 2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene?
The InChIKey is JHYRBKKQKWCCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-17-14-9-7-11-8-10-15(18-2)13-6-4-3-5-12(14)16(11)13/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene?
2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene has a molecular weight of 240.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethoxytricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene is sourced from PubChem (CID 135038714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).