4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene

C23H20O2 — CID 2751459

IUPAC4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene
SMILESCc1cc2c(o1)-c1c(oc3ccccc13)CCC2(C)c1ccccc1
InChIInChI=1S/C23H20O2/c1-15-14-18-22(24-15)21-17-10-6-7-11-19(17)25-20(21)12-13-23(18,2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
InChIKeyHXRFFUZGBFJHBL-UHFFFAOYSA-N
MW328.41 g/mol
LogP6.25
Rot. Bonds1

About 4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene

4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene (PubChem CID 2751459) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene.

Molecular Properties

Compound Name4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene
PubChem CID2751459
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene
SMILESCc1cc2c(o1)-c1c(oc3ccccc13)CCC2(C)c1ccccc1
InChIInChI=1S/C23H20O2/c1-15-14-18-22(24-15)21-17-10-6-7-11-19(17)25-20(21)12-13-23(18,2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
InChIKeyHXRFFUZGBFJHBL-UHFFFAOYSA-N
XLogP6.25
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene?
The IUPAC name of 4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene (CID 2751459) is 4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene.
What is the SMILES notation for 4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene?
The canonical SMILES for 4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene is Cc1cc2c(o1)-c1c(oc3ccccc13)CCC2(C)c1ccccc1.
What is the InChIKey of 4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene?
The InChIKey is HXRFFUZGBFJHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-15-14-18-22(24-15)21-17-10-6-7-11-19(17)25-20(21)12-13-23(18,2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene?
4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene has a molecular weight of 328.41 g/mol, XLogP of 6.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene is sourced from PubChem (CID 2751459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).