[2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate

C23H18O6 — CID 7198205

IUPAC[2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1
InChIInChI=1S/C23H18O6/c1-23(2,3)22(26)27-14-8-9-15-16(12-20(24)28-19(15)11-14)17-10-13-6-4-5-7-18(13)29-21(17)25/h4-12H,1-3H3
InChIKeyRPWBBNJXKNSLPS-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.52
Rot. Bonds2

About [2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate

[2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate (PubChem CID 7198205) has the molecular formula C23H18O6 and a molecular weight of 390.39 g/mol. Its IUPAC name is [2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate
PubChem CID7198205
Molecular FormulaC23H18O6
Molecular Weight390.39 g/mol
Exact Mass390.11
IUPAC Name[2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1
InChIInChI=1S/C23H18O6/c1-23(2,3)22(26)27-14-8-9-15-16(12-20(24)28-19(15)11-14)17-10-13-6-4-5-7-18(13)29-21(17)25/h4-12H,1-3H3
InChIKeyRPWBBNJXKNSLPS-UHFFFAOYSA-N
XLogP4.52
TPSA86.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate 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

[4-(6-chloro-2-oxochromen-3-yl)-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 7198182
[4-(6-bromo-2-oxochromen-3-yl)-2-oxochromen-7-yl] 4-methoxybenzoate
CID 95397661
[4-(8-methoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-bromobenzoate
CID 95397722
[4-(8-ethoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl] 2-methylpropanoate
CID 18561631
4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one
CID 167497973
7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one
CID 4967566
[3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] butanoate
CID 1402242
(4-methyl-2-oxo-3-phenylchromen-6-yl) 2,2-dimethylpropanoate
CID 7198812
(4-oxochromen-7-yl) 2,2-dimethylpropanoate
CID 135075316
N-[2-(2-oxochromen-3-yl)phenyl]acetamide
CID 164684022
3-methoxy-N-methyl-2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxyprop-2-enamide
CID 175853041
(2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate
CID 8839258

Frequently Asked Questions

What is the IUPAC name of [2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate?
The IUPAC name of [2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate (CID 7198205) is [2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)Oc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1.
What is the InChIKey of [2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate?
The InChIKey is RPWBBNJXKNSLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O6/c1-23(2,3)22(26)27-14-8-9-15-16(12-20(24)28-19(15)11-14)17-10-13-6-4-5-7-18(13)29-21(17)25/h4-12H,1-3H3.
What are the key properties of [2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate?
[2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate has a molecular weight of 390.39 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 7198205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).