4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one

C18H14O7 — CID 125039043

IUPAC4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one
SMILESCOc1cc(-c2cc(=O)oc3cc(O)ccc23)c(OC)c2c1OCO2
InChIInChI=1S/C18H14O7/c1-21-14-6-12(16(22-2)18-17(14)23-8-24-18)11-7-15(20)25-13-5-9(19)3-4-10(11)13/h3-7,19H,8H2,1-2H3
InChIKeyOSZKUDLDRCOAEF-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.91
Rot. Bonds3

About 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one

4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one (PubChem CID 125039043) has the molecular formula C18H14O7 and a molecular weight of 342.30 g/mol. Its IUPAC name is 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one.

Molecular Properties

Compound Name4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one
PubChem CID125039043
Molecular FormulaC18H14O7
Molecular Weight342.30 g/mol
Exact Mass342.07
IUPAC Name4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one
SMILESCOc1cc(-c2cc(=O)oc3cc(O)ccc23)c(OC)c2c1OCO2
InChIInChI=1S/C18H14O7/c1-21-14-6-12(16(22-2)18-17(14)23-8-24-18)11-7-15(20)25-13-5-9(19)3-4-10(11)13/h3-7,19H,8H2,1-2H3
InChIKeyOSZKUDLDRCOAEF-UHFFFAOYSA-N
XLogP2.91
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-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

6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 102208348
methyl 2-(7-hydroxy-2-oxochromen-4-yl)acetate
CID 5395514
2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one
CID 127031650
4-amino-7-hydroxychromen-2-one
CID 5403605
3-hydroxy-8,10-dimethoxybenzo[c]chromen-6-one
CID 169439551
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde
CID 11529700
N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide
CID 167499224
4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-5-phenyl-1,2-oxazole
CID 91973332
3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 6250403
4-(bromomethyl)-7-hydroxychromen-2-one
CID 5465897
methyl N-[[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]methyl]carbamate
CID 59445812

Frequently Asked Questions

What is the IUPAC name of 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one?
The IUPAC name of 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one (CID 125039043) is 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one.
What is the SMILES notation for 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one?
The canonical SMILES for 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one is COc1cc(-c2cc(=O)oc3cc(O)ccc23)c(OC)c2c1OCO2.
What is the InChIKey of 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one?
The InChIKey is OSZKUDLDRCOAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O7/c1-21-14-6-12(16(22-2)18-17(14)23-8-24-18)11-7-15(20)25-13-5-9(19)3-4-10(11)13/h3-7,19H,8H2,1-2H3.
What are the key properties of 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one?
4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one has a molecular weight of 342.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one is sourced from PubChem (CID 125039043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).