7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene

C23H18O3 — CID 72722587

IUPAC7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene
SMILESCOc1cccc2c3c(ccc12)-c1ccc(OC)c2c(OC)ccc-3c12
InChIInChI=1S/C23H18O3/c1-24-18-6-4-5-14-13(18)7-8-15-16-9-11-19(25-2)23-20(26-3)12-10-17(21(14)15)22(16)23/h4-12H,1-3H3
InChIKeyAIYZIEMPRDXSBT-UHFFFAOYSA-N
MW342.39 g/mol
LogP5.67
Rot. Bonds3

About 7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene

7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene (PubChem CID 72722587) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene.

Molecular Properties

Compound Name7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene
PubChem CID72722587
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene
SMILESCOc1cccc2c3c(ccc12)-c1ccc(OC)c2c(OC)ccc-3c12
InChIInChI=1S/C23H18O3/c1-24-18-6-4-5-14-13(18)7-8-15-16-9-11-19(25-2)23-20(26-3)12-10-17(21(14)15)22(16)23/h4-12H,1-3H3
InChIKeyAIYZIEMPRDXSBT-UHFFFAOYSA-N
XLogP5.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.39
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene?
The IUPAC name of 7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene (CID 72722587) is 7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene.
What is the SMILES notation for 7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene?
The canonical SMILES for 7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene is COc1cccc2c3c(ccc12)-c1ccc(OC)c2c(OC)ccc-3c12.
What is the InChIKey of 7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene?
The InChIKey is AIYZIEMPRDXSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-24-18-6-4-5-14-13(18)7-8-15-16-9-11-19(25-2)23-20(26-3)12-10-17(21(14)15)22(16)23/h4-12H,1-3H3.
What are the key properties of 7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene?
7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene has a molecular weight of 342.39 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene is sourced from PubChem (CID 72722587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).