2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene

C20H20O2S — CID 90655459

IUPAC2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene
SMILESCOc1cccc(CCc2ccccc2OCc2cccs2)c1
InChIInChI=1S/C20H20O2S/c1-21-18-8-4-6-16(14-18)11-12-17-7-2-3-10-20(17)22-15-19-9-5-13-23-19/h2-10,13-14H,11-12,15H2,1H3
InChIKeyNHBGLFWVBWIDDJ-UHFFFAOYSA-N
MW324.45 g/mol
LogP5.12
Rot. Bonds7

About 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene

2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene (PubChem CID 90655459) has the molecular formula C20H20O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene.

Molecular Properties

Compound Name2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene
PubChem CID90655459
Molecular FormulaC20H20O2S
Molecular Weight324.45 g/mol
Exact Mass324.12
IUPAC Name2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene
SMILESCOc1cccc(CCc2ccccc2OCc2cccs2)c1
InChIInChI=1S/C20H20O2S/c1-21-18-8-4-6-16(14-18)11-12-17-7-2-3-10-20(17)22-15-19-9-5-13-23-19/h2-10,13-14H,11-12,15H2,1H3
InChIKeyNHBGLFWVBWIDDJ-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene?
The IUPAC name of 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene (CID 90655459) is 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene.
What is the SMILES notation for 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene?
The canonical SMILES for 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene is COc1cccc(CCc2ccccc2OCc2cccs2)c1.
What is the InChIKey of 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene?
The InChIKey is NHBGLFWVBWIDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2S/c1-21-18-8-4-6-16(14-18)11-12-17-7-2-3-10-20(17)22-15-19-9-5-13-23-19/h2-10,13-14H,11-12,15H2,1H3.
What are the key properties of 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene?
2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene has a molecular weight of 324.45 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene is sourced from PubChem (CID 90655459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).