1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene

C17H20O4 — CID 625691

IUPAC1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene
SMILESCOc1ccc(-c2ccc(OC)c(OC)c2OC)c(C)c1
InChIInChI=1S/C17H20O4/c1-11-10-12(18-2)6-7-13(11)14-8-9-15(19-3)17(21-5)16(14)20-4/h6-10H,1-5H3
InChIKeyVUJHYKJFTJBXHO-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.70
Rot. Bonds5

About 1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene

1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene (PubChem CID 625691) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene
PubChem CID625691
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene
SMILESCOc1ccc(-c2ccc(OC)c(OC)c2OC)c(C)c1
InChIInChI=1S/C17H20O4/c1-11-10-12(18-2)6-7-13(11)14-8-9-15(19-3)17(21-5)16(14)20-4/h6-10H,1-5H3
InChIKeyVUJHYKJFTJBXHO-UHFFFAOYSA-N
XLogP3.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene?
The IUPAC name of 1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene (CID 625691) is 1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene.
What is the SMILES notation for 1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene?
The canonical SMILES for 1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene is COc1ccc(-c2ccc(OC)c(OC)c2OC)c(C)c1.
What is the InChIKey of 1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene?
The InChIKey is VUJHYKJFTJBXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-11-10-12(18-2)6-7-13(11)14-8-9-15(19-3)17(21-5)16(14)20-4/h6-10H,1-5H3.
What are the key properties of 1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene?
1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene has a molecular weight of 288.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-4-(4-methoxy-2-methylphenyl)benzene is sourced from PubChem (CID 625691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).