(1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione

C16H14O3 — CID 10083645

IUPAC(1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione
SMILESCOC1=CC(=O)C2[C@H]3Cc4ccccc4[C@H]3[C@@H]2C1=O
InChIInChI=1S/C16H14O3/c1-19-12-7-11(17)14-10-6-8-4-2-3-5-9(8)13(10)15(14)16(12)18/h2-5,7,10,13-15H,6H2,1H3/t10-,13+,14?,15-/m0/s1
InChIKeyQKAJQOCEXLULNU-ZPDOSGOPSA-N
MW254.28 g/mol
LogP1.87
Rot. Bonds1

About (1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione

(1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione (PubChem CID 10083645) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is (1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione.

Molecular Properties

Compound Name(1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione
PubChem CID10083645
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name(1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione
SMILESCOC1=CC(=O)C2[C@H]3Cc4ccccc4[C@H]3[C@@H]2C1=O
InChIInChI=1S/C16H14O3/c1-19-12-7-11(17)14-10-6-8-4-2-3-5-9(8)13(10)15(14)16(12)18/h2-5,7,10,13-15H,6H2,1H3/t10-,13+,14?,15-/m0/s1
InChIKeyQKAJQOCEXLULNU-ZPDOSGOPSA-N
XLogP1.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione
CID 5314107
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756
(7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione
CID 5314441
(1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione
CID 164667723
tert-butyl (1S,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
CID 101004961
tert-butyl (1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
CID 101004965
(2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene]
CID 159928803
(1R,2S,10R,11S,12R,17S)-18-oxapentacyclo[9.6.1.02,10.03,8.012,17]octadeca-3,5,7-triene
CID 125180810
[(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine
CID 96542205
(1'R,2'R,10'S)-spiro[benzo[c]fluorene-7,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene]
CID 159928800
N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 129403673
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173

Frequently Asked Questions

What is the IUPAC name of (1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione?
The IUPAC name of (1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione (CID 10083645) is (1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione.
What is the SMILES notation for (1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione?
The canonical SMILES for (1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione is COC1=CC(=O)C2[C@H]3Cc4ccccc4[C@H]3[C@@H]2C1=O.
What is the InChIKey of (1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione?
The InChIKey is QKAJQOCEXLULNU-ZPDOSGOPSA-N. The full InChI is InChI=1S/C16H14O3/c1-19-12-7-11(17)14-10-6-8-4-2-3-5-9(8)13(10)15(14)16(12)18/h2-5,7,10,13-15H,6H2,1H3/t10-,13+,14?,15-/m0/s1.
What are the key properties of (1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione?
(1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione has a molecular weight of 254.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione is sourced from PubChem (CID 10083645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).