1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene

C25H28O5 — CID 90655449

IUPAC1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene
SMILESCOc1cccc(CCc2ccccc2OCc2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C25H28O5/c1-26-21-10-7-8-18(14-21)12-13-20-9-5-6-11-22(20)30-17-19-15-23(27-2)25(29-4)24(16-19)28-3/h5-11,14-16H,12-13,17H2,1-4H3
InChIKeyDXZWAEMAAQEIJC-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.09
Rot. Bonds10

About 1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene

1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene (PubChem CID 90655449) has the molecular formula C25H28O5 and a molecular weight of 408.49 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene
PubChem CID90655449
Molecular FormulaC25H28O5
Molecular Weight408.49 g/mol
Exact Mass408.19
IUPAC Name1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene
SMILESCOc1cccc(CCc2ccccc2OCc2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C25H28O5/c1-26-21-10-7-8-18(14-21)12-13-20-9-5-6-11-22(20)30-17-19-15-23(27-2)25(29-4)24(16-19)28-3/h5-11,14-16H,12-13,17H2,1-4H3
InChIKeyDXZWAEMAAQEIJC-UHFFFAOYSA-N
XLogP5.09
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene (CID 90655449) is 1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene is COc1cccc(CCc2ccccc2OCc2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of 1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
The InChIKey is DXZWAEMAAQEIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O5/c1-26-21-10-7-8-18(14-21)12-13-20-9-5-6-11-22(20)30-17-19-15-23(27-2)25(29-4)24(16-19)28-3/h5-11,14-16H,12-13,17H2,1-4H3.
What are the key properties of 1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene has a molecular weight of 408.49 g/mol, XLogP of 5.09, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene is sourced from PubChem (CID 90655449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).