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

C17H10O6 — CID 135809749

IUPAC9-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
SMILESCOc1cccc2c1C(=O)c1oc(O)c3cc4c(c-2c13)OCO4
InChIInChI=1S/C17H10O6/c1-20-9-4-2-3-7-11(9)14(18)16-13-8(17(19)23-16)5-10-15(12(7)13)22-6-21-10/h2-5,19H,6H2,1H3
InChIKeyBHVZDLWFGLMXDA-UHFFFAOYSA-N
MW310.26 g/mol
LogP3.09
Rot. Bonds1

About 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

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 (PubChem CID 135809749) has the molecular formula C17H10O6 and a molecular weight of 310.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID135809749
Molecular FormulaC17H10O6
Molecular Weight310.26 g/mol
Exact Mass310.05
IUPAC Name9-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
SMILESCOc1cccc2c1C(=O)c1oc(O)c3cc4c(c-2c13)OCO4
InChIInChI=1S/C17H10O6/c1-20-9-4-2-3-7-11(9)14(18)16-13-8(17(19)23-16)5-10-15(12(7)13)22-6-21-10/h2-5,19H,6H2,1H3
InChIKeyBHVZDLWFGLMXDA-UHFFFAOYSA-N
XLogP3.09
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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CID 14630603
8-methoxy-1,3-benzodioxin-4-one
CID 141355094
(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
1,5-dimethoxyfluoren-9-one
CID 19594782
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
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
11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione
CID 10066319
2-(1,3-benzodioxol-5-yl)-3-hydroxy-8-methoxychromen-4-one
CID 18372889
9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione
CID 164617601
6,9-dimethoxy-7-(2-methoxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one
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5-(2-methoxyphenyl)-[1,3]benzodioxolo[6,5-f]isoindole-6,8-dione
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc2c1C(=O)c1oc(O)c3cc4c(c-2c13)OCO4.
What is the InChIKey of 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?
The InChIKey is BHVZDLWFGLMXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O6/c1-20-9-4-2-3-7-11(9)14(18)16-13-8(17(19)23-16)5-10-15(12(7)13)22-6-21-10/h2-5,19H,6H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 310.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135809749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).