methyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate

C23H28O8 — CID 10670370

IUPACmethyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate
SMILESCOC(=O)c1c(C)c(Cc2c(C)c(C(=O)OC)c(OC)c(C)c2OC)c(O)c(C)c1O
InChIInChI=1S/C23H28O8/c1-10-14(18(24)12(3)19(25)16(10)22(26)30-7)9-15-11(2)17(23(27)31-8)21(29-6)13(4)20(15)28-5/h24-25H,9H2,1-8H3
InChIKeyWSVFBJTYCBKVEL-UHFFFAOYSA-N
MW432.47 g/mol
LogP3.51
Rot. Bonds6

About methyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate

methyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate (PubChem CID 10670370) has the molecular formula C23H28O8 and a molecular weight of 432.47 g/mol. Its IUPAC name is methyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate
PubChem CID10670370
Molecular FormulaC23H28O8
Molecular Weight432.47 g/mol
Exact Mass432.18
IUPAC Namemethyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate
SMILESCOC(=O)c1c(C)c(Cc2c(C)c(C(=O)OC)c(OC)c(C)c2OC)c(O)c(C)c1O
InChIInChI=1S/C23H28O8/c1-10-14(18(24)12(3)19(25)16(10)22(26)30-7)9-15-11(2)17(23(27)31-8)21(29-6)13(4)20(15)28-5/h24-25H,9H2,1-8H3
InChIKeyWSVFBJTYCBKVEL-UHFFFAOYSA-N
XLogP3.51
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate 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 2,4-dimethoxy-3,6-dimethyl-5-(3-oxobutyl)benzoate
CID 11119951
methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate
CID 84689679
4-[4-[5-[4-(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl-3-methoxy-2,5,6-trimethylphenoxy]carbonyl-2,4-dihydroxy-3,6-dimethylphenoxy]-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid
CID 101495309
1-[(2,4-dihydroxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-10-formyl-2,9-dihydroxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-3-carboxylic acid
CID 132553223
methyl 5-chloro-2,4-dimethoxy-6-methyl-3-(3-methylbut-2-enyl)benzoate
CID 10903069
1-[3-[[3-acetyl-5-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxyphenyl]methyl]-2,4-dihydroxy-6-methoxy-5-methylphenyl]butan-1-one
CID 176755715
1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-2-methylbutan-1-one
CID 86131433
trimethyl 2-methoxy-4-methylbenzene-1,3,5-tricarboxylate
CID 173058524
methyl 2-amino-6-fluoro-5-hydroxy-3-methoxy-4-methylbenzoate
CID 71715743
methyl 2,5-dichloro-3,6-dihydroxy-4-methylbenzoate
CID 140966674
methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate
CID 14154178
2-methoxy-4,6-dimethylbenzene-1,3,5-triol
CID 86718657

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate?
The IUPAC name of methyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate (CID 10670370) is methyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate.
What is the SMILES notation for methyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate?
The canonical SMILES for methyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate is COC(=O)c1c(C)c(Cc2c(C)c(C(=O)OC)c(OC)c(C)c2OC)c(O)c(C)c1O.
What is the InChIKey of methyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate?
The InChIKey is WSVFBJTYCBKVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O8/c1-10-14(18(24)12(3)19(25)16(10)22(26)30-7)9-15-11(2)17(23(27)31-8)21(29-6)13(4)20(15)28-5/h24-25H,9H2,1-8H3.
What are the key properties of methyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate?
methyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate has a molecular weight of 432.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,4-dimethoxy-5-methoxycarbonyl-3,6-dimethylphenyl)methyl]-2,4-dihydroxy-3,6-dimethylbenzoate is sourced from PubChem (CID 10670370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).