(3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol

C24H26N2O2 — CID 166635513

IUPAC(3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CN1CC[C@@H](O)C1
InChIInChI=1S/C24H26N2O2/c1-17-21(18-7-4-3-5-8-18)9-6-10-22(17)23-12-11-19(24(25-23)28-2)15-26-14-13-20(27)16-26/h3-12,20,27H,13-16H2,1-2H3/t20-/m1/s1
InChIKeyPPPJIKHYTYGAIB-HXUWFJFHSA-N
MW374.48 g/mol
LogP4.30
Rot. Bonds5

About (3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol

(3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol (PubChem CID 166635513) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol
PubChem CID166635513
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name(3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CN1CC[C@@H](O)C1
InChIInChI=1S/C24H26N2O2/c1-17-21(18-7-4-3-5-8-18)9-6-10-22(17)23-12-11-19(24(25-23)28-2)15-26-14-13-20(27)16-26/h3-12,20,27H,13-16H2,1-2H3/t20-/m1/s1
InChIKeyPPPJIKHYTYGAIB-HXUWFJFHSA-N
XLogP4.30
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol (CID 166635513) is (3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol is COc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol?
The InChIKey is PPPJIKHYTYGAIB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-17-21(18-7-4-3-5-8-18)9-6-10-22(17)23-12-11-19(24(25-23)28-2)15-26-14-13-20(27)16-26/h3-12,20,27H,13-16H2,1-2H3/t20-/m1/s1.
What are the key properties of (3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol?
(3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol has a molecular weight of 374.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 166635513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).