5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene

C19H20O4 — CID 134940853

IUPAC5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
SMILESCOc1ccc2c(c1)C=CCc1c-2cc(OC)c(OC)c1OC
InChIInChI=1S/C19H20O4/c1-20-13-8-9-14-12(10-13)6-5-7-15-16(14)11-17(21-2)19(23-4)18(15)22-3/h5-6,8-11H,7H2,1-4H3
InChIKeyTWUSVZKIPYZHPE-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.96
Rot. Bonds4

About 5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene

5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene (PubChem CID 134940853) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene.

Molecular Properties

Compound Name5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
PubChem CID134940853
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
SMILESCOc1ccc2c(c1)C=CCc1c-2cc(OC)c(OC)c1OC
InChIInChI=1S/C19H20O4/c1-20-13-8-9-14-12(10-13)6-5-7-15-16(14)11-17(21-2)19(23-4)18(15)22-3/h5-6,8-11H,7H2,1-4H3
InChIKeyTWUSVZKIPYZHPE-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 624777
6-methoxy-1H-indene
CID 22155588
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
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CID 126658467
2-(2,4-dimethoxyphenyl)-4,7-dimethoxy-1H-indole
CID 13011434
6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-3H-benzo[e]indazole
CID 137348793
2,3,4,7-tetramethoxyphenanthrene
CID 11437978
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
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1,2,3,6,7,8-hexamethoxy-9,10-dihydroanthracene
CID 126606780

Frequently Asked Questions

What is the IUPAC name of 5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
The IUPAC name of 5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene (CID 134940853) is 5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene.
What is the SMILES notation for 5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
The canonical SMILES for 5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene is COc1ccc2c(c1)C=CCc1c-2cc(OC)c(OC)c1OC.
What is the InChIKey of 5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
The InChIKey is TWUSVZKIPYZHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-20-13-8-9-14-12(10-13)6-5-7-15-16(14)11-17(21-2)19(23-4)18(15)22-3/h5-6,8-11H,7H2,1-4H3.
What are the key properties of 5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene?
5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene has a molecular weight of 312.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene is sourced from PubChem (CID 134940853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).