1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene

C26H30O6 — CID 118737872

IUPAC1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene
SMILESCCOc1c(-c2ccc(OC)c(OC)c2)ccc(-c2ccc(OC)c(OC)c2)c1OCC
InChIInChI=1S/C26H30O6/c1-7-31-25-19(17-9-13-21(27-3)23(15-17)29-5)11-12-20(26(25)32-8-2)18-10-14-22(28-4)24(16-18)30-6/h9-16H,7-8H2,1-6H3
InChIKeyHQKAUQPHMWKJDE-UHFFFAOYSA-N
MW438.52 g/mol
LogP5.85
Rot. Bonds10

About 1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene

1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene (PubChem CID 118737872) has the molecular formula C26H30O6 and a molecular weight of 438.52 g/mol. Its IUPAC name is 1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene.

Molecular Properties

Compound Name1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene
PubChem CID118737872
Molecular FormulaC26H30O6
Molecular Weight438.52 g/mol
Exact Mass438.20
IUPAC Name1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene
SMILESCCOc1c(-c2ccc(OC)c(OC)c2)ccc(-c2ccc(OC)c(OC)c2)c1OCC
InChIInChI=1S/C26H30O6/c1-7-31-25-19(17-9-13-21(27-3)23(15-17)29-5)11-12-20(26(25)32-8-2)18-10-14-22(28-4)24(16-18)30-6/h9-16H,7-8H2,1-6H3
InChIKeyHQKAUQPHMWKJDE-UHFFFAOYSA-N
XLogP5.85
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene?
The IUPAC name of 1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene (CID 118737872) is 1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene.
What is the SMILES notation for 1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene?
The canonical SMILES for 1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene is CCOc1c(-c2ccc(OC)c(OC)c2)ccc(-c2ccc(OC)c(OC)c2)c1OCC.
What is the InChIKey of 1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene?
The InChIKey is HQKAUQPHMWKJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O6/c1-7-31-25-19(17-9-13-21(27-3)23(15-17)29-5)11-12-20(26(25)32-8-2)18-10-14-22(28-4)24(16-18)30-6/h9-16H,7-8H2,1-6H3.
What are the key properties of 1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene?
1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene has a molecular weight of 438.52 g/mol, XLogP of 5.85, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3,4-dimethoxyphenyl)-2,3-diethoxybenzene is sourced from PubChem (CID 118737872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).