3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one

C18H14O6 — CID 54678958

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one
SMILESCOc1ccc2c(O)c(-c3ccc4c(c3)OCCO4)c(=O)oc2c1
InChIInChI=1S/C18H14O6/c1-21-11-3-4-12-14(9-11)24-18(20)16(17(12)19)10-2-5-13-15(8-10)23-7-6-22-13/h2-5,8-9,19H,6-7H2,1H3
InChIKeyDJXHMHZLUGAFSE-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.95
Rot. Bonds2

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one (PubChem CID 54678958) has the molecular formula C18H14O6 and a molecular weight of 326.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one
PubChem CID54678958
Molecular FormulaC18H14O6
Molecular Weight326.30 g/mol
Exact Mass326.08
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one
SMILESCOc1ccc2c(O)c(-c3ccc4c(c3)OCCO4)c(=O)oc2c1
InChIInChI=1S/C18H14O6/c1-21-11-3-4-12-14(9-11)24-18(20)16(17(12)19)10-2-5-13-15(8-10)23-7-6-22-13/h2-5,8-9,19H,6-7H2,1H3
InChIKeyDJXHMHZLUGAFSE-UHFFFAOYSA-N
XLogP2.95
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-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

7-[2-(diethylamino)ethoxy]-4-hydroxy-3-(4-methoxyphenyl)chromen-2-one
CID 141398776
[3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 4966268
methyl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-4-oxochromen-7-yl]oxyacetate
CID 984042
3-(3,4-dichlorophenyl)-7-methoxy-4-methylchromen-2-one
CID 2372490
4-hydroxy-3-(4-iodophenoxy)-7-methoxychromen-2-one
CID 54678677
4-hydroxy-7-methoxy-3-(4-methylphenyl)sulfonylchromen-2-one
CID 54695448
3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde
CID 135980369
3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
CID 54725263
3-(dihydroxyamino)-7-methoxy-2-oxochromen-4-olate
CID 163151689
6-chloro-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methylchromen-4-one
CID 58913613
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 10807373
3-hexoxy-4-hydroxy-7-methoxychromen-2-one
CID 54694152

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one (CID 54678958) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one is COc1ccc2c(O)c(-c3ccc4c(c3)OCCO4)c(=O)oc2c1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one?
The InChIKey is DJXHMHZLUGAFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O6/c1-21-11-3-4-12-14(9-11)24-18(20)16(17(12)19)10-2-5-13-15(8-10)23-7-6-22-13/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one has a molecular weight of 326.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-methoxychromen-2-one is sourced from PubChem (CID 54678958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).