11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione

C19H16O5 — CID 123832977

IUPAC11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione
SMILESCC12c3ccc4c(c3C(O)c3occ(c31)C(=O)CC2O)CCC4=O
InChIInChI=1S/C19H16O5/c1-19-11-4-2-8-9(3-5-12(8)20)15(11)17(23)18-16(19)10(7-24-18)13(21)6-14(19)22/h2,4,7,14,17,22-23H,3,5-6H2,1H3
InChIKeyRIAHOYWCMYGFMW-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.06
Rot. Bonds

About 11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione

11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione (PubChem CID 123832977) has the molecular formula C19H16O5 and a molecular weight of 324.33 g/mol. Its IUPAC name is 11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione.

Molecular Properties

Compound Name11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione
PubChem CID123832977
Molecular FormulaC19H16O5
Molecular Weight324.33 g/mol
Exact Mass324.10
IUPAC Name11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione
SMILESCC12c3ccc4c(c3C(O)c3occ(c31)C(=O)CC2O)CCC4=O
InChIInChI=1S/C19H16O5/c1-19-11-4-2-8-9(3-5-12(8)20)15(11)17(23)18-16(19)10(7-24-18)13(21)6-14(19)22/h2,4,7,14,17,22-23H,3,5-6H2,1H3
InChIKeyRIAHOYWCMYGFMW-UHFFFAOYSA-N
XLogP2.06
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione with MolForge

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Related Compounds

(1R,17S,18S)-17,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11,16-trione
CID 163009553
(1S,5S,8R)-5,8-dihydroxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,6,9,13(20),15-hexaene-12,17-dione
CID 162943331
(2R)-2-(hydroxymethyl)-1,2,7,8-tetrahydrocyclopenta[e][1]benzofuran-6-one
CID 102365690
5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride
CID 138106165
5,8-dihydroxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2,4,6,8,10,13(20),15-heptaene-12,17-dione
CID 14215812
9-hydroxy-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
CID 5318349
2,6,7,8-tetrahydro-1H-as-indacen-3-one
CID 638795
1-hydroxy-7,8-dihydro-3H-cyclopenta[g][2,1]benzoxaborol-6-one
CID 129011355
N,N-dimethyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 69203390
(6S)-7-hydroxy-6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
CID 101493014
2-(1-oxo-2,3-dihydroinden-4-yl)propanamide
CID 57115120
5-amino-4-(3,4-dibromofuran-2-carbonyl)-2,3-dihydroinden-1-one
CID 135017168

Frequently Asked Questions

What is the IUPAC name of 11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione?
The IUPAC name of 11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione (CID 123832977) is 11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione.
What is the SMILES notation for 11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione?
The canonical SMILES for 11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione is CC12c3ccc4c(c3C(O)c3occ(c31)C(=O)CC2O)CCC4=O.
What is the InChIKey of 11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione?
The InChIKey is RIAHOYWCMYGFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5/c1-19-11-4-2-8-9(3-5-12(8)20)15(11)17(23)18-16(19)10(7-24-18)13(21)6-14(19)22/h2,4,7,14,17,22-23H,3,5-6H2,1H3.
What are the key properties of 11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione?
11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione has a molecular weight of 324.33 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,16-dione is sourced from PubChem (CID 123832977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).