2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol

C26H30N2O4 — CID 166683372

IUPAC2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol
SMILESCOCc1ccccc1Oc1ccc(N2CCC(Oc3ccc(C)cn3)C2)c(CCO)c1
InChIInChI=1S/C26H30N2O4/c1-19-7-10-26(27-16-19)32-23-11-13-28(17-23)24-9-8-22(15-20(24)12-14-29)31-25-6-4-3-5-21(25)18-30-2/h3-10,15-16,23,29H,11-14,17-18H2,1-2H3
InChIKeyGEJNTNFQQZMZJL-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.52
Rot. Bonds9

About 2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol

2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol (PubChem CID 166683372) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol
PubChem CID166683372
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol
SMILESCOCc1ccccc1Oc1ccc(N2CCC(Oc3ccc(C)cn3)C2)c(CCO)c1
InChIInChI=1S/C26H30N2O4/c1-19-7-10-26(27-16-19)32-23-11-13-28(17-23)24-9-8-22(15-20(24)12-14-29)31-25-6-4-3-5-21(25)18-30-2/h3-10,15-16,23,29H,11-14,17-18H2,1-2H3
InChIKeyGEJNTNFQQZMZJL-UHFFFAOYSA-N
XLogP4.52
TPSA64.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol?
The IUPAC name of 2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol (CID 166683372) is 2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol.
What is the SMILES notation for 2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol?
The canonical SMILES for 2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol is COCc1ccccc1Oc1ccc(N2CCC(Oc3ccc(C)cn3)C2)c(CCO)c1.
What is the InChIKey of 2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol?
The InChIKey is GEJNTNFQQZMZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-19-7-10-26(27-16-19)32-23-11-13-28(17-23)24-9-8-22(15-20(24)12-14-29)31-25-6-4-3-5-21(25)18-30-2/h3-10,15-16,23,29H,11-14,17-18H2,1-2H3.
What are the key properties of 2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol?
2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol has a molecular weight of 434.54 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(methoxymethyl)phenoxy]-2-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 166683372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).