2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene

C28H34O7 — CID 91355849

IUPAC2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
SMILESCOc1cc(C)c(C(c2c(C)cc(OC)cc2OC)c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C28H34O7/c1-16-10-18(29-3)12-21(32-6)25(16)28(26-17(2)11-19(30-4)13-22(26)33-7)27-23(34-8)14-20(31-5)15-24(27)35-9/h10-15,28H,1-9H3
InChIKeyFVDLDYAWWSDJBQ-UHFFFAOYSA-N
MW482.57 g/mol
LogP5.54
Rot. Bonds10

About 2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene

2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene (PubChem CID 91355849) has the molecular formula C28H34O7 and a molecular weight of 482.57 g/mol. Its IUPAC name is 2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene.

Molecular Properties

Compound Name2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
PubChem CID91355849
Molecular FormulaC28H34O7
Molecular Weight482.57 g/mol
Exact Mass482.23
IUPAC Name2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
SMILESCOc1cc(C)c(C(c2c(C)cc(OC)cc2OC)c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C28H34O7/c1-16-10-18(29-3)12-21(32-6)25(16)28(26-17(2)11-19(30-4)13-22(26)33-7)27-23(34-8)14-20(31-5)15-24(27)35-9/h10-15,28H,1-9H3
InChIKeyFVDLDYAWWSDJBQ-UHFFFAOYSA-N
XLogP5.54
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.57
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116962144
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116961980
3-chloro-1-(2,4-dimethoxy-6-methylphenyl)propan-1-amine
CID 116937769
2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol
CID 116863258
2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol
CID 116868681
2-(2,4-dimethoxy-6-methylphenyl)-3-oxobutanenitrile
CID 42638797
1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol
CID 116859497
1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 116948303
1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904559
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
2-(1-chloropropan-2-yl)-1,3,5-trimethoxybenzene
CID 168916552

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene?
The IUPAC name of 2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene (CID 91355849) is 2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene.
What is the SMILES notation for 2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene?
The canonical SMILES for 2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene is COc1cc(C)c(C(c2c(C)cc(OC)cc2OC)c2c(OC)cc(OC)cc2OC)c(OC)c1.
What is the InChIKey of 2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene?
The InChIKey is FVDLDYAWWSDJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O7/c1-16-10-18(29-3)12-21(32-6)25(16)28(26-17(2)11-19(30-4)13-22(26)33-7)27-23(34-8)14-20(31-5)15-24(27)35-9/h10-15,28H,1-9H3.
What are the key properties of 2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene?
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene has a molecular weight of 482.57 g/mol, XLogP of 5.54, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene is sourced from PubChem (CID 91355849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).