1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene

C33H36O6 — CID 172871453

IUPAC1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene
SMILESCOc1ccc(CCc2cc(Oc3ccc(CCc4cc(OC)cc(OC)c4)cc3)c(OC)cc2OC)cc1
InChIInChI=1S/C33H36O6/c1-34-27-14-9-24(10-15-27)8-13-26-20-33(32(38-5)22-31(26)37-4)39-28-16-11-23(12-17-28)6-7-25-18-29(35-2)21-30(19-25)36-3/h9-12,14-22H,6-8,13H2,1-5H3
InChIKeyOYAVFMJKBIJMOX-UHFFFAOYSA-N
MW528.65 g/mol
LogP7.09
Rot. Bonds13

About 1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene

1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene (PubChem CID 172871453) has the molecular formula C33H36O6 and a molecular weight of 528.65 g/mol. Its IUPAC name is 1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene
PubChem CID172871453
Molecular FormulaC33H36O6
Molecular Weight528.65 g/mol
Exact Mass528.25
IUPAC Name1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene
SMILESCOc1ccc(CCc2cc(Oc3ccc(CCc4cc(OC)cc(OC)c4)cc3)c(OC)cc2OC)cc1
InChIInChI=1S/C33H36O6/c1-34-27-14-9-24(10-15-27)8-13-26-20-33(32(38-5)22-31(26)37-4)39-28-16-11-23(12-17-28)6-7-25-18-29(35-2)21-30(19-25)36-3/h9-12,14-22H,6-8,13H2,1-5H3
InChIKeyOYAVFMJKBIJMOX-UHFFFAOYSA-N
XLogP7.09
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871445
1,3-dimethoxy-5-[2-[4-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871269
4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]phenol
CID 172871379
6-[2-[4-[2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-4-methoxy-1,3-benzodioxole
CID 172871449
1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
CID 172871343
1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871171
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene
CID 172870969
1-methoxy-3-[2-methoxy-4-[2-(3-methoxyphenyl)ethyl]phenoxy]-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 172871177
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(3,5-dimethoxyphenyl)ethane-1,2-dione
CID 172869661
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
1,3-dimethoxy-5-[2-[4-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871054
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene?
The IUPAC name of 1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene (CID 172871453) is 1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene is COc1ccc(CCc2cc(Oc3ccc(CCc4cc(OC)cc(OC)c4)cc3)c(OC)cc2OC)cc1.
What is the InChIKey of 1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene?
The InChIKey is OYAVFMJKBIJMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O6/c1-34-27-14-9-24(10-15-27)8-13-26-20-33(32(38-5)22-31(26)37-4)39-28-16-11-23(12-17-28)6-7-25-18-29(35-2)21-30(19-25)36-3/h9-12,14-22H,6-8,13H2,1-5H3.
What are the key properties of 1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene?
1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene has a molecular weight of 528.65 g/mol, XLogP of 7.09, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene is sourced from PubChem (CID 172871453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).