[5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol

C24H23F3N2O3 — CID 156814952

IUPAC[5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol
SMILESCOc1ccccc1-c1ccc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c(CO)c1
InChIInChI=1S/C24H23F3N2O3/c1-31-22-5-3-2-4-20(22)16-6-8-21(17(12-16)15-30)29-11-10-19(14-29)32-23-9-7-18(13-28-23)24(25,26)27/h2-9,12-13,19,30H,10-11,14-15H2,1H3/t19-/m0/s1
InChIKeyMTFYDLLLGTWLAZ-IBGZPJMESA-N
MW444.45 g/mol
LogP4.93
Rot. Bonds6

About [5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol

[5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol (PubChem CID 156814952) has the molecular formula C24H23F3N2O3 and a molecular weight of 444.45 g/mol. Its IUPAC name is [5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol
PubChem CID156814952
Molecular FormulaC24H23F3N2O3
Molecular Weight444.45 g/mol
Exact Mass444.17
IUPAC Name[5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol
SMILESCOc1ccccc1-c1ccc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c(CO)c1
InChIInChI=1S/C24H23F3N2O3/c1-31-22-5-3-2-4-20(22)16-6-8-21(17(12-16)15-30)29-11-10-19(14-29)32-23-9-7-18(13-28-23)24(25,26)27/h2-9,12-13,19,30H,10-11,14-15H2,1H3/t19-/m0/s1
InChIKeyMTFYDLLLGTWLAZ-IBGZPJMESA-N
XLogP4.93
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol?
The IUPAC name of [5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol (CID 156814952) is [5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol.
What is the SMILES notation for [5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol?
The canonical SMILES for [5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol is COc1ccccc1-c1ccc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c(CO)c1.
What is the InChIKey of [5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol?
The InChIKey is MTFYDLLLGTWLAZ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23F3N2O3/c1-31-22-5-3-2-4-20(22)16-6-8-21(17(12-16)15-30)29-11-10-19(14-29)32-23-9-7-18(13-28-23)24(25,26)27/h2-9,12-13,19,30H,10-11,14-15H2,1H3/t19-/m0/s1.
What are the key properties of [5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol?
[5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol has a molecular weight of 444.45 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol is sourced from PubChem (CID 156814952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).