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

C32H34O5 — CID 172871445

IUPAC1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene
SMILESCOc1ccc(CCc2cc(Oc3ccc(CCc4cccc(OC)c4)cc3)c(OC)cc2OC)cc1
InChIInChI=1S/C32H34O5/c1-33-27-16-11-24(12-17-27)10-15-26-21-32(31(36-4)22-30(26)35-3)37-28-18-13-23(14-19-28)8-9-25-6-5-7-29(20-25)34-2/h5-7,11-14,16-22H,8-10,15H2,1-4H3
InChIKeyFNECVFZKFXTIOZ-UHFFFAOYSA-N
MW498.62 g/mol
LogP7.08
Rot. Bonds12

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

1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene (PubChem CID 172871445) has the molecular formula C32H34O5 and a molecular weight of 498.62 g/mol. Its IUPAC name is 1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene.

Molecular Properties

Compound Name1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene
PubChem CID172871445
Molecular FormulaC32H34O5
Molecular Weight498.62 g/mol
Exact Mass498.24
IUPAC Name1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene
SMILESCOc1ccc(CCc2cc(Oc3ccc(CCc4cccc(OC)c4)cc3)c(OC)cc2OC)cc1
InChIInChI=1S/C32H34O5/c1-33-27-16-11-24(12-17-27)10-15-26-21-32(31(36-4)22-30(26)35-3)37-28-18-13-23(14-19-28)8-9-25-6-5-7-29(20-25)34-2/h5-7,11-14,16-22H,8-10,15H2,1-4H3
InChIKeyFNECVFZKFXTIOZ-UHFFFAOYSA-N
XLogP7.08
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.62
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]phenol
CID 172871379
1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 172871453
1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
CID 172871343
4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol
CID 172871341
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870751
1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
CID 172870468
1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870898
1-methoxy-3-[2-methoxy-4-[2-(3-methoxyphenyl)ethyl]phenoxy]-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 172871177
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209
1,2,3-trimethoxy-5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870908
5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole
CID 172870909

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene?
The IUPAC name of 1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene (CID 172871445) is 1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene.
What is the SMILES notation for 1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene?
The canonical SMILES for 1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene is COc1ccc(CCc2cc(Oc3ccc(CCc4cccc(OC)c4)cc3)c(OC)cc2OC)cc1.
What is the InChIKey of 1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene?
The InChIKey is FNECVFZKFXTIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O5/c1-33-27-16-11-24(12-17-27)10-15-26-21-32(31(36-4)22-30(26)35-3)37-28-18-13-23(14-19-28)8-9-25-6-5-7-29(20-25)34-2/h5-7,11-14,16-22H,8-10,15H2,1-4H3.
What are the key properties of 1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene?
1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene has a molecular weight of 498.62 g/mol, XLogP of 7.08, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene is sourced from PubChem (CID 172871445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).