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

C24H26O4 — CID 24808157

IUPAC1,2-dimethoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene
SMILESCOc1cccc(CCc2ccccc2OCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C24H26O4/c1-25-21-9-6-7-18(15-21)11-13-20-8-4-5-10-22(20)28-17-19-12-14-23(26-2)24(16-19)27-3/h4-10,12,14-16H,11,13,17H2,1-3H3
InChIKeyVGVVMHKOBMJFEB-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.08
Rot. Bonds9

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

1,2-dimethoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene (PubChem CID 24808157) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene
PubChem CID24808157
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Name1,2-dimethoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene
SMILESCOc1cccc(CCc2ccccc2OCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C24H26O4/c1-25-21-9-6-7-18(15-21)11-13-20-8-4-5-10-22(20)28-17-19-12-14-23(26-2)24(16-19)27-3/h4-10,12,14-16H,11,13,17H2,1-3H3
InChIKeyVGVVMHKOBMJFEB-UHFFFAOYSA-N
XLogP5.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene (CID 24808157) is 1,2-dimethoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene is COc1cccc(CCc2ccccc2OCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 1,2-dimethoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
The InChIKey is VGVVMHKOBMJFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O4/c1-25-21-9-6-7-18(15-21)11-13-20-8-4-5-10-22(20)28-17-19-12-14-23(26-2)24(16-19)27-3/h4-10,12,14-16H,11,13,17H2,1-3H3.
What are the key properties of 1,2-dimethoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
1,2-dimethoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene has a molecular weight of 378.47 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene is sourced from PubChem (CID 24808157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).