1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene

C26H30O4 — CID 171715581

IUPAC1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
SMILESCOc1ccc(CCc2cccc(CCc3cc(OC)c(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C26H30O4/c1-27-23-14-12-19(13-15-23)8-9-20-6-5-7-21(16-20)10-11-22-17-24(28-2)26(30-4)25(18-22)29-3/h5-7,12-18H,8-11H2,1-4H3
InChIKeyQBRGQOKKJROJLS-UHFFFAOYSA-N
MW406.52 g/mol
LogP5.29
Rot. Bonds10

About 1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene

1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene (PubChem CID 171715581) has the molecular formula C26H30O4 and a molecular weight of 406.52 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
PubChem CID171715581
Molecular FormulaC26H30O4
Molecular Weight406.52 g/mol
Exact Mass406.21
IUPAC Name1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
SMILESCOc1ccc(CCc2cccc(CCc3cc(OC)c(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C26H30O4/c1-27-23-14-12-19(13-15-23)8-9-20-6-5-7-21(16-20)10-11-22-17-24(28-2)26(30-4)25(18-22)29-3/h5-7,12-18H,8-11H2,1-4H3
InChIKeyQBRGQOKKJROJLS-UHFFFAOYSA-N
XLogP5.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.52
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3-trimethoxy-5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870908
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209
1-methoxy-3-[2-methoxy-4-[2-(3-methoxyphenyl)ethyl]phenoxy]-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 172871177
2-methoxy-3-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]-5-[2-(3-methoxyphenyl)ethyl]phenol
CID 172871276
2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene
CID 44609839
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene
CID 137454177
4-[2-[3-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715341
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
[3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] sulfamate
CID 137451062
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene (CID 171715581) is 1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene is COc1ccc(CCc2cccc(CCc3cc(OC)c(OC)c(OC)c3)c2)cc1.
What is the InChIKey of 1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene?
The InChIKey is QBRGQOKKJROJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O4/c1-27-23-14-12-19(13-15-23)8-9-20-6-5-7-21(16-20)10-11-22-17-24(28-2)26(30-4)25(18-22)29-3/h5-7,12-18H,8-11H2,1-4H3.
What are the key properties of 1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene?
1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene has a molecular weight of 406.52 g/mol, XLogP of 5.29, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene is sourced from PubChem (CID 171715581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).