2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene

C25H27BrO6 — CID 56602246

IUPAC2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(C(c2ccc(Br)cc2)c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C25H27BrO6/c1-27-17-11-19(29-3)24(20(12-17)30-4)23(15-7-9-16(26)10-8-15)25-21(31-5)13-18(28-2)14-22(25)32-6/h7-14,23H,1-6H3
InChIKeyWZFVYOAGDMZLQJ-UHFFFAOYSA-N
MW503.39 g/mol
LogP5.68
Rot. Bonds9

About 2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene

2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene (PubChem CID 56602246) has the molecular formula C25H27BrO6 and a molecular weight of 503.39 g/mol. Its IUPAC name is 2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene.

Molecular Properties

Compound Name2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene
PubChem CID56602246
Molecular FormulaC25H27BrO6
Molecular Weight503.39 g/mol
Exact Mass502.10
IUPAC Name2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(C(c2ccc(Br)cc2)c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C25H27BrO6/c1-27-17-11-19(29-3)24(20(12-17)30-4)23(15-7-9-16(26)10-8-15)25-21(31-5)13-18(28-2)14-22(25)32-6/h7-14,23H,1-6H3
InChIKeyWZFVYOAGDMZLQJ-UHFFFAOYSA-N
XLogP5.68
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.39
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1,3,5-trimethoxy-2-[(4-nitrophenyl)-(2,4,6-trimethoxyphenyl)methyl]benzene
CID 11662781
4-bromo-2-[(5-bromo-2-methoxyphenyl)-(4-bromophenyl)methyl]-1-methoxybenzene
CID 50999142
2-[bromo-(3-bromophenyl)methyl]-1,3,5-trimethoxybenzene
CID 63438924
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
2-[bromo(phenyl)methyl]-1,3,5-trimethoxybenzene
CID 61095892
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
CID 82759020
1-(2-bromo-4,6-dimethoxyphenyl)ethanol
CID 84710416
1-(4-bromophenyl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 43481084
2-(1-bromopropyl)-1,3,5-trimethoxybenzene
CID 61098697
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene
CID 46896091
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene?
The IUPAC name of 2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene (CID 56602246) is 2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene.
What is the SMILES notation for 2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene?
The canonical SMILES for 2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene is COc1cc(OC)c(C(c2ccc(Br)cc2)c2c(OC)cc(OC)cc2OC)c(OC)c1.
What is the InChIKey of 2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene?
The InChIKey is WZFVYOAGDMZLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrO6/c1-27-17-11-19(29-3)24(20(12-17)30-4)23(15-7-9-16(26)10-8-15)25-21(31-5)13-18(28-2)14-22(25)32-6/h7-14,23H,1-6H3.
What are the key properties of 2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene?
2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene has a molecular weight of 503.39 g/mol, XLogP of 5.68, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene is sourced from PubChem (CID 56602246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).