1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene

C18H22O3 — CID 173437157

IUPAC1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene
SMILESCOc1ccc(-c2c(C)cc(C)cc2C)c(OC)c1OC
InChIInChI=1S/C18H22O3/c1-11-9-12(2)16(13(3)10-11)14-7-8-15(19-4)18(21-6)17(14)20-5/h7-10H,1-6H3
InChIKeyHVGHINPRNNMPDX-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.30
Rot. Bonds4

About 1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene

1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene (PubChem CID 173437157) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene
PubChem CID173437157
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene
SMILESCOc1ccc(-c2c(C)cc(C)cc2C)c(OC)c1OC
InChIInChI=1S/C18H22O3/c1-11-9-12(2)16(13(3)10-11)14-7-8-15(19-4)18(21-6)17(14)20-5/h7-10H,1-6H3
InChIKeyHVGHINPRNNMPDX-UHFFFAOYSA-N
XLogP4.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene?
The IUPAC name of 1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene (CID 173437157) is 1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene.
What is the SMILES notation for 1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene?
The canonical SMILES for 1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene is COc1ccc(-c2c(C)cc(C)cc2C)c(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene?
The InChIKey is HVGHINPRNNMPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-11-9-12(2)16(13(3)10-11)14-7-8-15(19-4)18(21-6)17(14)20-5/h7-10H,1-6H3.
What are the key properties of 1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene?
1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene has a molecular weight of 286.37 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene is sourced from PubChem (CID 173437157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).