5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene

C19H20O4 — CID 132500180

IUPAC5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene
SMILESCOc1cc2c(cc1OC)Cc1ccc(OC)c(OC)c1C=C2
InChIInChI=1S/C19H20O4/c1-20-16-8-6-13-9-14-11-18(22-3)17(21-2)10-12(14)5-7-15(13)19(16)23-4/h5-8,10-11H,9H2,1-4H3
InChIKeyLDCNQOMATRSNTA-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.80
Rot. Bonds4

About 5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene

5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene (PubChem CID 132500180) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene.

Molecular Properties

Compound Name5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene
PubChem CID132500180
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene
SMILESCOc1cc2c(cc1OC)Cc1ccc(OC)c(OC)c1C=C2
InChIInChI=1S/C19H20O4/c1-20-16-8-6-13-9-14-11-18(22-3)17(21-2)10-12(14)5-7-15(13)19(16)23-4/h5-8,10-11H,9H2,1-4H3
InChIKeyLDCNQOMATRSNTA-UHFFFAOYSA-N
XLogP3.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 4140999
5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene
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6,7,15,16-tetramethoxy-9-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,13,15-hexaene-2,11-dione
CID 4309557
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2,3-diiodo-1,4-dimethoxybenzene
CID 11653980
5,12,19-trimethoxy-6,13,20-tri(pyren-1-yloxy)tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 102312197
7,8-dimethoxy-3-pentyl-1H-3-benzazepin-2-one
CID 123825761
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Frequently Asked Questions

What is the IUPAC name of 5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene?
The IUPAC name of 5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene (CID 132500180) is 5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene.
What is the SMILES notation for 5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene?
The canonical SMILES for 5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene is COc1cc2c(cc1OC)Cc1ccc(OC)c(OC)c1C=C2.
What is the InChIKey of 5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene?
The InChIKey is LDCNQOMATRSNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-20-16-8-6-13-9-14-11-18(22-3)17(21-2)10-12(14)5-7-15(13)19(16)23-4/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene?
5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene has a molecular weight of 312.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,12,13-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaene is sourced from PubChem (CID 132500180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).