[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate

C21H18O7 — CID 8730398

IUPAC[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2cc(=O)c3cc(C)ccc3o2)c1
InChIInChI=1S/C21H18O7/c1-12-4-6-19-14(8-12)16(22)10-20(28-19)21(24)27-11-17(23)15-9-13(25-2)5-7-18(15)26-3/h4-10H,11H2,1-3H3
InChIKeyQGYNRIDBXJKYPJ-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.16
Rot. Bonds6

About [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate (PubChem CID 8730398) has the molecular formula C21H18O7 and a molecular weight of 382.37 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
PubChem CID8730398
Molecular FormulaC21H18O7
Molecular Weight382.37 g/mol
Exact Mass382.11
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SMILESCOc1ccc(OC)c(C(=O)COC(=O)c2cc(=O)c3cc(C)ccc3o2)c1
InChIInChI=1S/C21H18O7/c1-12-4-6-19-14(8-12)16(22)10-20(28-19)21(24)27-11-17(23)15-9-13(25-2)5-7-18(15)26-3/h4-10H,11H2,1-3H3
InChIKeyQGYNRIDBXJKYPJ-UHFFFAOYSA-N
XLogP3.16
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-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-fluorophenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729035
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate
CID 2456748
[2-oxo-2-(4-propylphenyl)ethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729253
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729103
[2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729510
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431484
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877631
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-oxochromene-2-carboxylate
CID 2699773
2-(3,5-dimethylphenoxy)ethyl 6-methyl-4-oxochromene-2-carboxylate
CID 8728614

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate (CID 8730398) is [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate is COc1ccc(OC)c(C(=O)COC(=O)c2cc(=O)c3cc(C)ccc3o2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
The InChIKey is QGYNRIDBXJKYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O7/c1-12-4-6-19-14(8-12)16(22)10-20(28-19)21(24)27-11-17(23)15-9-13(25-2)5-7-18(15)26-3/h4-10H,11H2,1-3H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate?
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate has a molecular weight of 382.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate is sourced from PubChem (CID 8730398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).