[4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol

C24H23F3N2O2 — CID 156814470

About [4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol

[4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol (PubChem CID 156814470) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is [4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol.

Molecular Properties

• Compound Name: [4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol
• PubChem CID: 156814470
• Molecular Formula: C24H23F3N2O2
• Molecular Weight: 428.45 g/mol
• Exact Mass: 428.17
• IUPAC Name: [4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol
• SMILES: Cc1ccccc1-c1ccc(CO)c(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1
• InChI: InChI=1S/C24H23F3N2O2/c1-16-4-2-3-5-21(16)17-6-7-18(15-30)22(12-17)29-11-10-20(14-29)31-23-9-8-19(13-28-23)24(25,26)27/h2-9,12-13,20,30H,10-11,14-15H2,1H3/t20-/m0/s1
• InChIKey: IARMNCLJQZXNST-FQEVSTJZSA-N
• XLogP: 5.23
• TPSA: 45.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.45
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol?

The IUPAC name of [4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol (CID 156814470) is [4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol.

What is the SMILES notation for [4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol?

The canonical SMILES for [4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol is Cc1ccccc1-c1ccc(CO)c(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1.

What is the InChIKey of [4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol?

The InChIKey is IARMNCLJQZXNST-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c1-16-4-2-3-5-21(16)17-6-7-18(15-30)22(12-17)29-11-10-20(14-29)31-23-9-8-19(13-28-23)24(25,26)27/h2-9,12-13,20,30H,10-11,14-15H2,1H3/t20-/m0/s1.

What are the key properties of [4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol?

[4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol has a molecular weight of 428.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-methylphenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methanol is sourced from PubChem (CID 156814470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).