1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene

C25H28O6 — CID 21464766

IUPAC1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(OC)(c2ccccc2OC)c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C25H28O6/c1-26-17-11-13-20(23(15-17)29-4)25(31-6,19-9-7-8-10-22(19)28-3)21-14-12-18(27-2)16-24(21)30-5/h7-16H,1-6H3
InChIKeyCIOYARCLXNJTGD-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.67
Rot. Bonds9

About 1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene

1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene (PubChem CID 21464766) has the molecular formula C25H28O6 and a molecular weight of 424.49 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene
PubChem CID21464766
Molecular FormulaC25H28O6
Molecular Weight424.49 g/mol
Exact Mass424.19
IUPAC Name1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(OC)(c2ccccc2OC)c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C25H28O6/c1-26-17-11-13-20(23(15-17)29-4)25(31-6,19-9-7-8-10-22(19)28-3)21-14-12-18(27-2)16-24(21)30-5/h7-16H,1-6H3
InChIKeyCIOYARCLXNJTGD-UHFFFAOYSA-N
XLogP4.67
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.67
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-[dimethoxy(phenyl)methyl]-2,4-dimethoxybenzene
CID 174961611
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246
1-(2,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 62801453
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
2,4-dimethoxy-1-trityloxybenzene
CID 67899248
1-tert-butyl-4-methoxy-2-phenoxybenzene
CID 143202933
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene (CID 21464766) is 1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene is COc1ccc(C(OC)(c2ccccc2OC)c2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene?
The InChIKey is CIOYARCLXNJTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O6/c1-26-17-11-13-20(23(15-17)29-4)25(31-6,19-9-7-8-10-22(19)28-3)21-14-12-18(27-2)16-24(21)30-5/h7-16H,1-6H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene?
1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene has a molecular weight of 424.49 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)-methoxy-(2-methoxyphenyl)methyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 21464766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).