(11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one

C17H12O5 — CID 10685335

IUPAC(11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one
SMILESCOc1cccc2c1C[C@H]1OC(=O)c3cc4c(c-2c31)OCO4
InChIInChI=1S/C17H12O5/c1-19-11-4-2-3-8-9(11)5-12-14-10(17(18)22-12)6-13-16(15(8)14)21-7-20-13/h2-4,6,12H,5,7H2,1H3/t12-/m1/s1
InChIKeyBWFZXHYFCWWTPF-GFCCVEGCSA-N
MW296.28 g/mol
LogP2.86
Rot. Bonds1

About (11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one

(11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one (PubChem CID 10685335) has the molecular formula C17H12O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is (11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one.

Molecular Properties

Compound Name(11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one
PubChem CID10685335
Molecular FormulaC17H12O5
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Name(11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one
SMILESCOc1cccc2c1C[C@H]1OC(=O)c3cc4c(c-2c31)OCO4
InChIInChI=1S/C17H12O5/c1-19-11-4-2-3-8-9(11)5-12-14-10(17(18)22-12)6-13-16(15(8)14)21-7-20-13/h2-4,6,12H,5,7H2,1H3/t12-/m1/s1
InChIKeyBWFZXHYFCWWTPF-GFCCVEGCSA-N
XLogP2.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one with MolForge

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Related Compounds

8-methoxy-1,3-benzodioxin-4-one
CID 141355094
9-hydroxy-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1,6,8,11(19),13(18),14,16-heptaen-12-one
CID 135809749
7-(2,3-dimethoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
CID 14630603
(6S)-6-[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one
CID 11877139
6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one
CID 123246341
10-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
CID 162817781
4-methoxy-3-methyl-3H-2-benzofuran-1-one
CID 585356
17,18-dimethoxy-13-methyl-3,5-dioxa-13-azapentacyclo[10.8.1.02,6.08,21.015,20]henicosa-1(21),2(6),7,9,11,15,17,19-octaen-14-one
CID 12014003
5,6,7,8-tetramethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
CID 42608126
(3S)-3-hydroxy-4-methoxy-3H-2-benzofuran-1-one
CID 135372257
2-bromo-4-methoxy-2,3-dihydroinden-1-one
CID 82024143
6-(2-methoxyphenyl)-1,3-benzodioxole-5-carbaldehyde
CID 172909252

Frequently Asked Questions

What is the IUPAC name of (11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one?
The IUPAC name of (11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one (CID 10685335) is (11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one.
What is the SMILES notation for (11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one?
The canonical SMILES for (11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one is COc1cccc2c1C[C@H]1OC(=O)c3cc4c(c-2c31)OCO4.
What is the InChIKey of (11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one?
The InChIKey is BWFZXHYFCWWTPF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H12O5/c1-19-11-4-2-3-8-9(11)5-12-14-10(17(18)22-12)6-13-16(15(8)14)21-7-20-13/h2-4,6,12H,5,7H2,1H3/t12-/m1/s1.
What are the key properties of (11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one?
(11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one has a molecular weight of 296.28 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-14-methoxy-3,5,10-trioxapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one is sourced from PubChem (CID 10685335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).