1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene

C18H22O4 — CID 143420181

IUPAC1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene
SMILESCOc1cc(C)c(OC)c(-c2c(OC)ccc(OC)c2C)c1
InChIInChI=1S/C18H22O4/c1-11-9-13(19-3)10-14(18(11)22-6)17-12(2)15(20-4)7-8-16(17)21-5/h7-10H,1-6H3
InChIKeyQNIOJXCRICZFKC-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.00
Rot. Bonds5

About 1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene

1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene (PubChem CID 143420181) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene.

Molecular Properties

Compound Name1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene
PubChem CID143420181
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene
SMILESCOc1cc(C)c(OC)c(-c2c(OC)ccc(OC)c2C)c1
InChIInChI=1S/C18H22O4/c1-11-9-13(19-3)10-14(18(11)22-6)17-12(2)15(20-4)7-8-16(17)21-5/h7-10H,1-6H3
InChIKeyQNIOJXCRICZFKC-UHFFFAOYSA-N
XLogP4.00
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene 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

5-methoxy-2-(2-methoxyphenyl)-1,3-dimethylbenzene
CID 173290629
1,3,6,8-tetrakis(4-methoxy-2,6-dimethylphenyl)pyrene;bis(1,2-xylene)
CID 139091331
2,4-dimethoxy-6-methylaniline;hydrate
CID 172746341
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
CID 171649028
5-methoxy-1,2-dimethyl-3-phenylbenzene
CID 67554747
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
cyclododecene;1,3,6,8-tetrakis(4-methoxy-2,6-dimethylphenyl)pyrene
CID 139091326
3-chloro-4-(2,5-dimethoxy-3-methylphenyl)naphthalene-1,2-dione
CID 134936402
2-(2-hydroxy-5-methoxy-3-methylphenyl)-4-methoxy-6-methylphenol
CID 59106217
1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene
CID 173437157
1-methoxy-3-[(4-methoxy-3-methylphenyl)methyl]-5-[(4-methoxyphenyl)methyl]benzene
CID 146175274

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene?
The IUPAC name of 1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene (CID 143420181) is 1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene.
What is the SMILES notation for 1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene?
The canonical SMILES for 1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene is COc1cc(C)c(OC)c(-c2c(OC)ccc(OC)c2C)c1.
What is the InChIKey of 1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene?
The InChIKey is QNIOJXCRICZFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-11-9-13(19-3)10-14(18(11)22-6)17-12(2)15(20-4)7-8-16(17)21-5/h7-10H,1-6H3.
What are the key properties of 1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene?
1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene has a molecular weight of 302.37 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethoxy-2-methylphenyl)-2,5-dimethoxy-3-methylbenzene is sourced from PubChem (CID 143420181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).