4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol

C19H22O4 — CID 102092946

IUPAC4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol
SMILESCc1ccc2c(c1O)-c1c(ccc(C)c1O)OCCCCCO2
InChIInChI=1S/C19H22O4/c1-12-6-8-14-16(18(12)20)17-15(9-7-13(2)19(17)21)23-11-5-3-4-10-22-14/h6-9,20-21H,3-5,10-11H2,1-2H3
InChIKeyQAYZZTKECAVXFH-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.32
Rot. Bonds

About 4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol

4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol (PubChem CID 102092946) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol.

Molecular Properties

Compound Name4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol
PubChem CID102092946
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol
SMILESCc1ccc2c(c1O)-c1c(ccc(C)c1O)OCCCCCO2
InChIInChI=1S/C19H22O4/c1-12-6-8-14-16(18(12)20)17-15(9-7-13(2)19(17)21)23-11-5-3-4-10-22-14/h6-9,20-21H,3-5,10-11H2,1-2H3
InChIKeyQAYZZTKECAVXFH-UHFFFAOYSA-N
XLogP4.32
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol with MolForge

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Related Compounds

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CID 20606163
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CID 71614401
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CID 117298696
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CID 143804461
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CID 10947667
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CID 43804425
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CID 91664860

Frequently Asked Questions

What is the IUPAC name of 4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol?
The IUPAC name of 4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol (CID 102092946) is 4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol.
What is the SMILES notation for 4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol?
The canonical SMILES for 4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol is Cc1ccc2c(c1O)-c1c(ccc(C)c1O)OCCCCCO2.
What is the InChIKey of 4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol?
The InChIKey is QAYZZTKECAVXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-12-6-8-14-16(18(12)20)17-15(9-7-13(2)19(17)21)23-11-5-3-4-10-22-14/h6-9,20-21H,3-5,10-11H2,1-2H3.
What are the key properties of 4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol?
4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol has a molecular weight of 314.38 g/mol, XLogP of 4.32, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,18-dimethyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaene-3,19-diol is sourced from PubChem (CID 102092946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).