(1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene

C23H16O3 — CID 11359753

IUPAC(1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene
SMILESc1ccc2c(c1)-c1ccccc1[C@H]1[C@@H]2[C@H]2O[C@@H]1c1cc3c(cc12)OCO3
InChIInChI=1S/C23H16O3/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)21-20(14)22-16-9-18-19(25-11-24-18)10-17(16)23(21)26-22/h1-10,20-23H,11H2/t20-,21+,22+,23-
InChIKeyBPGIIRYLPZEFGZ-ZCQNZVIGSA-N
MW340.38 g/mol
LogP5.09
Rot. Bonds

About (1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene

(1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene (PubChem CID 11359753) has the molecular formula C23H16O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene.

Molecular Properties

Compound Name(1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene
PubChem CID11359753
Molecular FormulaC23H16O3
Molecular Weight340.38 g/mol
Exact Mass340.11
IUPAC Name(1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene
SMILESc1ccc2c(c1)-c1ccccc1[C@H]1[C@@H]2[C@H]2O[C@@H]1c1cc3c(cc12)OCO3
InChIInChI=1S/C23H16O3/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)21-20(14)22-16-9-18-19(25-11-24-18)10-17(16)23(21)26-22/h1-10,20-23H,11H2/t20-,21+,22+,23-
InChIKeyBPGIIRYLPZEFGZ-ZCQNZVIGSA-N
XLogP5.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl (1S,11R,12R,13S)-5,7,14-trioxatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4(8),9-triene-12,13-dicarboxylate
CID 10804569
[(1R,11S,12S,13R)-13-(acetyloxymethyl)-5,7,14-trioxatetracyclo[9.2.1.02,10.04,8]tetradeca-2,4(8),9-trien-12-yl]methyl acetate
CID 11823828
heptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-3,5,7,9,11,13,18,20,22,24,26,28-dodecaene
CID 20588402
14-methyl-5,7,11-trioxa-14-azapentacyclo[11.8.0.02,10.04,8.016,21]henicosa-2,4(8),9,16,18,20-hexaen-15-one
CID 68827772
(12R)-12-hydroxy-12H-benzo[d][1,3]benzodioxonin-13-one
CID 129388564
benzene;1,3-benzodioxole
CID 158998325
1,3-benzodioxole;hydrobromide
CID 172797493
(9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol
CID 92537798
8-oxatricyclo[4.3.0.07,9]nona-1,3,5-triene
CID 87081194
(15R,19R)-17-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 126150723
5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene
CID 19034001
1,3-benzodioxole;ethene
CID 142820644

Frequently Asked Questions

What is the IUPAC name of (1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene?
The IUPAC name of (1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene (CID 11359753) is (1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene.
What is the SMILES notation for (1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene?
The canonical SMILES for (1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene is c1ccc2c(c1)-c1ccccc1[C@H]1[C@@H]2[C@H]2O[C@@H]1c1cc3c(cc12)OCO3.
What is the InChIKey of (1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene?
The InChIKey is BPGIIRYLPZEFGZ-ZCQNZVIGSA-N. The full InChI is InChI=1S/C23H16O3/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)21-20(14)22-16-9-18-19(25-11-24-18)10-17(16)23(21)26-22/h1-10,20-23H,11H2/t20-,21+,22+,23-.
What are the key properties of (1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene?
(1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene has a molecular weight of 340.38 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,15S,16R)-20,22,26-trioxaheptacyclo[14.9.1.02,15.03,8.09,14.017,25.019,23]hexacosa-3,5,7,9,11,13,17,19(23),24-nonaene is sourced from PubChem (CID 11359753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).