11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene

C17H14O3 — CID 101379229

IUPAC11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene
SMILESCC12CCOc3cccc(c31)-c1cc3c(cc12)OCO3
InChIInChI=1S/C17H14O3/c1-17-5-6-18-13-4-2-3-10(16(13)17)11-7-14-15(8-12(11)17)20-9-19-14/h2-4,7-8H,5-6,9H2,1H3
InChIKeyMIDFOHAFRZZGNN-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.48
Rot. Bonds

About 11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene

11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene (PubChem CID 101379229) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene.

Molecular Properties

Compound Name11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene
PubChem CID101379229
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene
SMILESCC12CCOc3cccc(c31)-c1cc3c(cc12)OCO3
InChIInChI=1S/C17H14O3/c1-17-5-6-18-13-4-2-3-10(16(13)17)11-7-14-15(8-12(11)17)20-9-19-14/h2-4,7-8H,5-6,9H2,1H3
InChIKeyMIDFOHAFRZZGNN-UHFFFAOYSA-N
XLogP3.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene with MolForge

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Related Compounds

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spiro[2,3-dihydrochromene-4,9'-fluorene]
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14,14-bis(3-bromophenyl)-9,9-dimethyl-18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene
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Frequently Asked Questions

What is the IUPAC name of 11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene?
The IUPAC name of 11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene (CID 101379229) is 11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene.
What is the SMILES notation for 11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene?
The canonical SMILES for 11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene is CC12CCOc3cccc(c31)-c1cc3c(cc12)OCO3.
What is the InChIKey of 11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene?
The InChIKey is MIDFOHAFRZZGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-17-5-6-18-13-4-2-3-10(16(13)17)11-7-14-15(8-12(11)17)20-9-19-14/h2-4,7-8H,5-6,9H2,1H3.
What are the key properties of 11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene?
11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene has a molecular weight of 266.30 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-5,7,14-trioxapentacyclo[9.7.1.02,10.04,8.015,19]nonadeca-1(19),2,4(8),9,15,17-hexaene is sourced from PubChem (CID 101379229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).