1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene

C20H26O6 — CID 20758550

IUPAC1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
SMILESCOc1cc(C)c(-c2c(C)cc(OC)c(OC)c2OC)c(OC)c1OC
InChIInChI=1S/C20H26O6/c1-11-9-13(21-3)17(23-5)19(25-7)15(11)16-12(2)10-14(22-4)18(24-6)20(16)26-8/h9-10H,1-8H3
InChIKeyMFBNRJSMYWMOBM-UHFFFAOYSA-N
MW362.42 g/mol
LogP4.02
Rot. Bonds7

About 1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene

1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene (PubChem CID 20758550) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
PubChem CID20758550
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
SMILESCOc1cc(C)c(-c2c(C)cc(OC)c(OC)c2OC)c(OC)c1OC
InChIInChI=1S/C20H26O6/c1-11-9-13(21-3)17(23-5)19(25-7)15(11)16-12(2)10-14(22-4)18(24-6)20(16)26-8/h9-10H,1-8H3
InChIKeyMFBNRJSMYWMOBM-UHFFFAOYSA-N
XLogP4.02
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene 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

1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 157222020
methane;1,2,3,4-tetramethoxy-5-methylbenzene
CID 157228165
4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane
CID 145244698
[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane
CID 59989489
2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline
CID 171920030
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene
CID 173437157
1,2,3,9,10,11-hexamethoxy-5,7-dihydrobenzo[d][2]benzothiepine
CID 86074646
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene?
The IUPAC name of 1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene (CID 20758550) is 1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene is COc1cc(C)c(-c2c(C)cc(OC)c(OC)c2OC)c(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene?
The InChIKey is MFBNRJSMYWMOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c1-11-9-13(21-3)17(23-5)19(25-7)15(11)16-12(2)10-14(22-4)18(24-6)20(16)26-8/h9-10H,1-8H3.
What are the key properties of 1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene?
1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene has a molecular weight of 362.42 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene is sourced from PubChem (CID 20758550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).