2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one

C19H12O4 — CID 135167543

IUPAC2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one
SMILESO=c1c2ccccc2oc2cc3ccc4c(c3cc12)OCCO4
InChIInChI=1S/C19H12O4/c20-18-12-3-1-2-4-15(12)23-17-9-11-5-6-16-19(22-8-7-21-16)13(11)10-14(17)18/h1-6,9-10H,7-8H2
InChIKeyHQNPITXXDVRTFP-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.87
Rot. Bonds

About 2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one

2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one (PubChem CID 135167543) has the molecular formula C19H12O4 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one.

Molecular Properties

Compound Name2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one
PubChem CID135167543
Molecular FormulaC19H12O4
Molecular Weight304.30 g/mol
Exact Mass304.07
IUPAC Name2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one
SMILESO=c1c2ccccc2oc2cc3ccc4c(c3cc12)OCCO4
InChIInChI=1S/C19H12O4/c20-18-12-3-1-2-4-15(12)23-17-9-11-5-6-16-19(22-8-7-21-16)13(11)10-14(17)18/h1-6,9-10H,7-8H2
InChIKeyHQNPITXXDVRTFP-UHFFFAOYSA-N
XLogP3.87
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one 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

18-methoxy-5,7,14-trioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(13),2,4(8),9,11,15(20),16,18-octaen-21-one
CID 135167625
8,9-difluorobenzo[b]xanthen-12-one
CID 135167539
16-(trifluoromethyl)-5,7,14-trioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(13),2,4(8),9,11,15(20),16,18-octaen-21-one;17-(trifluoromethyl)-5,7,14-trioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(13),2,4(8),9,11,15(20),16,18-octaen-21-one;18-(trifluoromethyl)-5,7,14-trioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(13),2,4(8),9,11,15(20),16,18-octaen-21-one;19-(trifluoromethyl)-5,7,14-trioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1(13),2,4(8),9,11,15,17,19-octaen-21-one
CID 157153662
8-hydroxybenzo[b]xanthen-12-one
CID 135167525
10-(trifluoromethyl)benzo[b]xanthen-12-one
CID 135167546
6,8,14-trioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),11,15,17,19-octaen-21-one
CID 135193746
8-(13-oxo-2,3-dihydro-[1,4]benzodioxino[7,6-a]xanthen-2-yl)-2,3-dihydro-[1,4]benzodioxino[8,7-a]xanthen-14-one
CID 135196705
3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione
CID 164765343
9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 126718289
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
propane;xanthen-9-one
CID 90876458
2,3-dihydro-1H-pyrano[2,3-c]xanthen-7-one
CID 58280704

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one?
The IUPAC name of 2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one (CID 135167543) is 2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one.
What is the SMILES notation for 2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one?
The canonical SMILES for 2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one is O=c1c2ccccc2oc2cc3ccc4c(c3cc12)OCCO4.
What is the InChIKey of 2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one?
The InChIKey is HQNPITXXDVRTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O4/c20-18-12-3-1-2-4-15(12)23-17-9-11-5-6-16-19(22-8-7-21-16)13(11)10-14(17)18/h1-6,9-10H,7-8H2.
What are the key properties of 2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one?
2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one has a molecular weight of 304.30 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one is sourced from PubChem (CID 135167543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).