5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

C19H20O4 — CID 628542

IUPAC5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESCOc1cc2c(cc1OC)Cc1cc(OC)c(OC)cc1C=C2
InChIInChI=1S/C19H20O4/c1-20-16-8-12-5-6-13-9-17(21-2)19(23-4)11-15(13)7-14(12)10-18(16)22-3/h5-6,8-11H,7H2,1-4H3
InChIKeyCYTCDSPVVGUKMT-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.80
Rot. Bonds4

About 5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (PubChem CID 628542) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
PubChem CID628542
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESCOc1cc2c(cc1OC)Cc1cc(OC)c(OC)cc1C=C2
InChIInChI=1S/C19H20O4/c1-20-16-8-12-5-6-13-9-17(21-2)19(23-4)11-15(13)7-14(12)10-18(16)22-3/h5-6,8-11H,7H2,1-4H3
InChIKeyCYTCDSPVVGUKMT-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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bis(3-bromo-6,7-dimethoxy-1H-naphthalen-2-one);methane
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7,8-dimethoxy-3-pentyl-1H-3-benzazepin-2-one
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3-(3-hydroxypropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one
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3-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)propylchloranium
CID 144748292
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-dimethoxy-3-methyl-1,2-dihydronaphthalene
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6,13,19,20,26,27-hexamethoxypentacyclo[22.4.0.03,8.010,15.017,22]octacosa-1(28),3,5,7,10,12,14,17,19,21,24,26-dodecaene-5,12-dicarbaldehyde
CID 164843046
5,6-dimethoxy-3,8-dihydrocyclobuta[b]naphthalene-1,2-dione
CID 10752785
14,19,24,26,28,30,33,34-octamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13(31),14,16(30),18,20,23,26,28,32,34-pentadecaene-4,10-diol
CID 177419561
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CID 14985069

Frequently Asked Questions

What is the IUPAC name of 5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The IUPAC name of 5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (CID 628542) is 5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.
What is the SMILES notation for 5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The canonical SMILES for 5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is COc1cc2c(cc1OC)Cc1cc(OC)c(OC)cc1C=C2.
What is the InChIKey of 5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The InChIKey is CYTCDSPVVGUKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-20-16-8-12-5-6-13-9-17(21-2)19(23-4)11-15(13)7-14(12)10-18(16)22-3/h5-6,8-11H,7H2,1-4H3.
What are the key properties of 5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-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 5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is sourced from PubChem (CID 628542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).