4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione

C19H20O3 — CID 162851679

IUPAC4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione
SMILESCOc1cc2c(cc1C)C(=O)C1C3=C(C(=O)CCC3(C)C)C21
InChIInChI=1S/C19H20O3/c1-9-7-11-10(8-13(9)22-4)14-15-12(20)5-6-19(2,3)17(15)16(14)18(11)21/h7-8,14,16H,5-6H2,1-4H3
InChIKeyMFDIRQZUSKKMNW-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.60
Rot. Bonds1

About 4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione

4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione (PubChem CID 162851679) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione.

Molecular Properties

Compound Name4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione
PubChem CID162851679
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione
SMILESCOc1cc2c(cc1C)C(=O)C1C3=C(C(=O)CCC3(C)C)C21
InChIInChI=1S/C19H20O3/c1-9-7-11-10(8-13(9)22-4)14-15-12(20)5-6-19(2,3)17(15)16(14)18(11)21/h7-8,14,16H,5-6H2,1-4H3
InChIKeyMFDIRQZUSKKMNW-UHFFFAOYSA-N
XLogP3.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione with MolForge

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Related Compounds

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CID 143066066
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CID 10804337
(11R,15R)-15-hydroxy-5-methoxy-6,12,12-trimethyltricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6-tetraen-9-one
CID 162895840
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4,5,12,13-tetramethoxytetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-8,16-dione
CID 137412659
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CID 10241621
3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one
CID 116538548
6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
CID 22218219
6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione?
The IUPAC name of 4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione (CID 162851679) is 4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione.
What is the SMILES notation for 4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione?
The canonical SMILES for 4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione is COc1cc2c(cc1C)C(=O)C1C3=C(C(=O)CCC3(C)C)C21.
What is the InChIKey of 4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione?
The InChIKey is MFDIRQZUSKKMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-9-7-11-10(8-13(9)22-4)14-15-12(20)5-6-19(2,3)17(15)16(14)18(11)21/h7-8,14,16H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione?
4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione has a molecular weight of 296.37 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,11,11-trimethyltetracyclo[7.6.0.02,7.010,15]pentadeca-2(7),3,5,10(15)-tetraene-8,14-dione is sourced from PubChem (CID 162851679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).