[5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol

C24H26N2O4 — CID 170313388

IUPAC[5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
SMILESCOc1ccccc1Oc1ccc(N2CCC(Oc3ncccc3C)C2)c(CO)c1
InChIInChI=1S/C24H26N2O4/c1-17-6-5-12-25-24(17)30-20-11-13-26(15-20)21-10-9-19(14-18(21)16-27)29-23-8-4-3-7-22(23)28-2/h3-10,12,14,20,27H,11,13,15-16H2,1-2H3
InChIKeyQXMZIENQCFLBJL-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.34
Rot. Bonds7

About [5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol

[5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol (PubChem CID 170313388) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is [5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
PubChem CID170313388
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name[5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
SMILESCOc1ccccc1Oc1ccc(N2CCC(Oc3ncccc3C)C2)c(CO)c1
InChIInChI=1S/C24H26N2O4/c1-17-6-5-12-25-24(17)30-20-11-13-26(15-20)21-10-9-19(14-18(21)16-27)29-23-8-4-3-7-22(23)28-2/h3-10,12,14,20,27H,11,13,15-16H2,1-2H3
InChIKeyQXMZIENQCFLBJL-UHFFFAOYSA-N
XLogP4.34
TPSA64.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol?
The IUPAC name of [5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol (CID 170313388) is [5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol.
What is the SMILES notation for [5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol?
The canonical SMILES for [5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol is COc1ccccc1Oc1ccc(N2CCC(Oc3ncccc3C)C2)c(CO)c1.
What is the InChIKey of [5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol?
The InChIKey is QXMZIENQCFLBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-17-6-5-12-25-24(17)30-20-11-13-26(15-20)21-10-9-19(14-18(21)16-27)29-23-8-4-3-7-22(23)28-2/h3-10,12,14,20,27H,11,13,15-16H2,1-2H3.
What are the key properties of [5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol?
[5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol has a molecular weight of 406.48 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol is sourced from PubChem (CID 170313388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).