[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate

C26H14Cl2O6 — CID 21001559

IUPAC[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate
SMILESCc1cc2oc(-c3ccccc3Cl)c(OC(=O)c3cc4ccccc4oc3=O)c(=O)c2cc1Cl
InChIInChI=1S/C26H14Cl2O6/c1-13-10-21-16(12-19(13)28)22(29)24(23(32-21)15-7-3-4-8-18(15)27)34-26(31)17-11-14-6-2-5-9-20(14)33-25(17)30/h2-12H,1H3
InChIKeyLUOHOBZXRDHDQW-UHFFFAOYSA-N
MW493.30 g/mol
LogP6.40
Rot. Bonds3

About [6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate

[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate (PubChem CID 21001559) has the molecular formula C26H14Cl2O6 and a molecular weight of 493.30 g/mol. Its IUPAC name is [6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate
PubChem CID21001559
Molecular FormulaC26H14Cl2O6
Molecular Weight493.30 g/mol
Exact Mass492.02
IUPAC Name[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate
SMILESCc1cc2oc(-c3ccccc3Cl)c(OC(=O)c3cc4ccccc4oc3=O)c(=O)c2cc1Cl
InChIInChI=1S/C26H14Cl2O6/c1-13-10-21-16(12-19(13)28)22(29)24(23(32-21)15-7-3-4-8-18(15)27)34-26(31)17-11-14-6-2-5-9-20(14)33-25(17)30/h2-12H,1H3
InChIKeyLUOHOBZXRDHDQW-UHFFFAOYSA-N
XLogP6.40
TPSA86.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.30
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate 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

[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl] furan-2-carboxylate
CID 7742643
(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl) 2-fluorobenzoate
CID 7747780
[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl] benzoate
CID 21001587
(6,8-dichloro-4-oxo-2-phenylchromen-3-yl) 2-oxochromene-3-carboxylate
CID 21001638
[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-(2,4-dichlorophenoxy)propanoate
CID 21001547
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 7742654
ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742658
2-[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,6-diethylphenyl)propanamide
CID 21001305
[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl] 3,4-dimethoxybenzoate
CID 21001526
2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999641
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 1-benzofuran-2-carboxylate
CID 7193771
[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 21001603

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate?
The IUPAC name of [6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate (CID 21001559) is [6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate.
What is the SMILES notation for [6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate?
The canonical SMILES for [6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate is Cc1cc2oc(-c3ccccc3Cl)c(OC(=O)c3cc4ccccc4oc3=O)c(=O)c2cc1Cl.
What is the InChIKey of [6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate?
The InChIKey is LUOHOBZXRDHDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14Cl2O6/c1-13-10-21-16(12-19(13)28)22(29)24(23(32-21)15-7-3-4-8-18(15)27)34-26(31)17-11-14-6-2-5-9-20(14)33-25(17)30/h2-12H,1H3.
What are the key properties of [6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate?
[6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate has a molecular weight of 493.30 g/mol, XLogP of 6.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-(2-chlorophenyl)-7-methyl-4-oxochromen-3-yl] 2-oxochromene-3-carboxylate is sourced from PubChem (CID 21001559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).