5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene

C26H30O6 — CID 90655453

IUPAC5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(COc2ccccc2CCc2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C26H30O6/c1-27-22-13-11-19(16-23(22)28-2)17-32-21-9-7-6-8-20(21)12-10-18-14-24(29-3)26(31-5)25(15-18)30-4/h6-9,11,13-16H,10,12,17H2,1-5H3
InChIKeyOMGOCOMUVOSOEK-UHFFFAOYSA-N
MW438.52 g/mol
LogP5.09
Rot. Bonds11

About 5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene

5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene (PubChem CID 90655453) has the molecular formula C26H30O6 and a molecular weight of 438.52 g/mol. Its IUPAC name is 5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene
PubChem CID90655453
Molecular FormulaC26H30O6
Molecular Weight438.52 g/mol
Exact Mass438.20
IUPAC Name5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(COc2ccccc2CCc2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C26H30O6/c1-27-22-13-11-19(16-23(22)28-2)17-32-21-9-7-6-8-20(21)12-10-18-14-24(29-3)26(31-5)25(15-18)30-4/h6-9,11,13-16H,10,12,17H2,1-5H3
InChIKeyOMGOCOMUVOSOEK-UHFFFAOYSA-N
XLogP5.09
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene (CID 90655453) is 5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene is COc1ccc(COc2ccccc2CCc2cc(OC)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of 5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene?
The InChIKey is OMGOCOMUVOSOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O6/c1-27-22-13-11-19(16-23(22)28-2)17-32-21-9-7-6-8-20(21)12-10-18-14-24(29-3)26(31-5)25(15-18)30-4/h6-9,11,13-16H,10,12,17H2,1-5H3.
What are the key properties of 5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene?
5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene has a molecular weight of 438.52 g/mol, XLogP of 5.09, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 90655453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).