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

C18H22O6 — CID 5219341

IUPAC1,3,5-trimethoxy-2-(2,4,6-trimethoxyphenyl)benzene
SMILESCOc1cc(OC)c(-c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C18H22O6/c1-19-11-7-13(21-3)17(14(8-11)22-4)18-15(23-5)9-12(20-2)10-16(18)24-6/h7-10H,1-6H3
InChIKeyPKTVMNKLPFVXBH-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.41
Rot. Bonds7

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

1,3,5-trimethoxy-2-(2,4,6-trimethoxyphenyl)benzene (PubChem CID 5219341) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1,3,5-trimethoxy-2-(2,4,6-trimethoxyphenyl)benzene.

Molecular Properties

Compound Name1,3,5-trimethoxy-2-(2,4,6-trimethoxyphenyl)benzene
PubChem CID5219341
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Name1,3,5-trimethoxy-2-(2,4,6-trimethoxyphenyl)benzene
SMILESCOc1cc(OC)c(-c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C18H22O6/c1-19-11-7-13(21-3)17(14(8-11)22-4)18-15(23-5)9-12(20-2)10-16(18)24-6/h7-10H,1-6H3
InChIKeyPKTVMNKLPFVXBH-UHFFFAOYSA-N
XLogP3.41
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethoxy-2-(2,4,6-trimethoxyphenyl)benzene?
The IUPAC name of 1,3,5-trimethoxy-2-(2,4,6-trimethoxyphenyl)benzene (CID 5219341) is 1,3,5-trimethoxy-2-(2,4,6-trimethoxyphenyl)benzene.
What is the SMILES notation for 1,3,5-trimethoxy-2-(2,4,6-trimethoxyphenyl)benzene?
The canonical SMILES for 1,3,5-trimethoxy-2-(2,4,6-trimethoxyphenyl)benzene is COc1cc(OC)c(-c2c(OC)cc(OC)cc2OC)c(OC)c1.
What is the InChIKey of 1,3,5-trimethoxy-2-(2,4,6-trimethoxyphenyl)benzene?
The InChIKey is PKTVMNKLPFVXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O6/c1-19-11-7-13(21-3)17(14(8-11)22-4)18-15(23-5)9-12(20-2)10-16(18)24-6/h7-10H,1-6H3.
What are the key properties of 1,3,5-trimethoxy-2-(2,4,6-trimethoxyphenyl)benzene?
1,3,5-trimethoxy-2-(2,4,6-trimethoxyphenyl)benzene has a molecular weight of 334.37 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethoxy-2-(2,4,6-trimethoxyphenyl)benzene is sourced from PubChem (CID 5219341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).