2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one

C24H24O7 — CID 20645510

IUPAC2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one
SMILESCOc1cc(C)c(C(=O)c2c(Cc3cc(=O)cc(OC)o3)cccc2OC)c(OC)c1
InChIInChI=1S/C24H24O7/c1-14-9-17(27-2)13-20(29-4)22(14)24(26)23-15(7-6-8-19(23)28-3)10-18-11-16(25)12-21(30-5)31-18/h6-9,11-13H,10H2,1-5H3
InChIKeyCKBCUCQSZJJKMY-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.80
Rot. Bonds8

About 2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one

2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one (PubChem CID 20645510) has the molecular formula C24H24O7 and a molecular weight of 424.45 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one.

Molecular Properties

Compound Name2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one
PubChem CID20645510
Molecular FormulaC24H24O7
Molecular Weight424.45 g/mol
Exact Mass424.15
IUPAC Name2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one
SMILESCOc1cc(C)c(C(=O)c2c(Cc3cc(=O)cc(OC)o3)cccc2OC)c(OC)c1
InChIInChI=1S/C24H24O7/c1-14-9-17(27-2)13-20(29-4)22(14)24(26)23-15(7-6-8-19(23)28-3)10-18-11-16(25)12-21(30-5)31-18/h6-9,11-13H,10H2,1-5H3
InChIKeyCKBCUCQSZJJKMY-UHFFFAOYSA-N
XLogP3.80
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-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

bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
(2,6-dimethoxyphenyl)-(2,3,4,6-tetramethylphenyl)methanone
CID 172752328
4-(2,4-dimethoxy-6-methylphenyl)-4-oxobutanenitrile
CID 116862133
(2,6-dihydroxy-4-methoxyphenyl)-(4-hydroxy-2-methoxy-6-methylphenyl)methanone
CID 23757122
2-(2,4-dimethoxy-6-methylbenzoyl)butanenitrile
CID 116923746
2-(2-benzoyl-3-methoxyphenyl)acetamide
CID 174500242
methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate
CID 10760652
[2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone
CID 141015987
3-(2,4-dimethoxy-6-methylbenzoyl)oxetane-3-carbonitrile
CID 116922317
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
CID 116843073
2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde
CID 7578619

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one?
The IUPAC name of 2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one (CID 20645510) is 2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one.
What is the SMILES notation for 2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one?
The canonical SMILES for 2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one is COc1cc(C)c(C(=O)c2c(Cc3cc(=O)cc(OC)o3)cccc2OC)c(OC)c1.
What is the InChIKey of 2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one?
The InChIKey is CKBCUCQSZJJKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O7/c1-14-9-17(27-2)13-20(29-4)22(14)24(26)23-15(7-6-8-19(23)28-3)10-18-11-16(25)12-21(30-5)31-18/h6-9,11-13H,10H2,1-5H3.
What are the key properties of 2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one?
2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one has a molecular weight of 424.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethoxy-6-methylbenzoyl)-3-methoxyphenyl]methyl]-6-methoxypyran-4-one is sourced from PubChem (CID 20645510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).