methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate

C28H24O10 — CID 172869627

IUPACmethyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)C(=O)c2cc(OC)c(OC)cc2C(=O)C(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C28H24O10/c1-34-20-11-10-17(12-21(20)35-2)25(30)27(32)19-14-23(37-4)22(36-3)13-18(19)26(31)24(29)15-6-8-16(9-7-15)28(33)38-5/h6-14H,1-5H3
InChIKeyYGKCYKCLSVBRBI-UHFFFAOYSA-N
MW520.49 g/mol
LogP3.64
Rot. Bonds11

About methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate

methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate (PubChem CID 172869627) has the molecular formula C28H24O10 and a molecular weight of 520.49 g/mol. Its IUPAC name is methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate
PubChem CID172869627
Molecular FormulaC28H24O10
Molecular Weight520.49 g/mol
Exact Mass520.14
IUPAC Namemethyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)C(=O)c2cc(OC)c(OC)cc2C(=O)C(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C28H24O10/c1-34-20-11-10-17(12-21(20)35-2)25(30)27(32)19-14-23(37-4)22(36-3)13-18(19)26(31)24(29)15-6-8-16(9-7-15)28(33)38-5/h6-14H,1-5H3
InChIKeyYGKCYKCLSVBRBI-UHFFFAOYSA-N
XLogP3.64
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate 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

methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
CID 170457460
methyl 4-[2-[3-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]phenyl]ethynyl]benzoate
CID 172869673
2-(3,4-dimethoxyphenyl)-2-oxoacetyl chloride
CID 141177100
methyl 4-[2-[3-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-5-methoxyphenyl]ethyl]benzoate
CID 172869618
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
methyl 4-amino-3-methoxybenzoate
CID 602411
1-(3,4-dimethoxyphenyl)-2-methylprop-2-en-1-one
CID 79189812
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1355426
methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
CID 17175462

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate?
The IUPAC name of methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate (CID 172869627) is methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate.
What is the SMILES notation for methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate?
The canonical SMILES for methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate is COC(=O)c1ccc(C(=O)C(=O)c2cc(OC)c(OC)cc2C(=O)C(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate?
The InChIKey is YGKCYKCLSVBRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O10/c1-34-20-11-10-17(12-21(20)35-2)25(30)27(32)19-14-23(37-4)22(36-3)13-18(19)26(31)24(29)15-6-8-16(9-7-15)28(33)38-5/h6-14H,1-5H3.
What are the key properties of methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate?
methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate has a molecular weight of 520.49 g/mol, XLogP of 3.64, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-[2-(3,4-dimethoxyphenyl)-2-oxoacetyl]-4,5-dimethoxyphenyl]-2-oxoacetyl]benzoate is sourced from PubChem (CID 172869627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).