1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol

C21H22N2O3 — CID 54102677

IUPAC1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol
SMILESCOc1cccc(-c2ccc(OCC(O)CCc3ccncc3)cc2)n1
InChIInChI=1S/C21H22N2O3/c1-25-21-4-2-3-20(23-21)17-6-9-19(10-7-17)26-15-18(24)8-5-16-11-13-22-14-12-16/h2-4,6-7,9-14,18,24H,5,8,15H2,1H3
InChIKeyNBPFVCJGTMKCJX-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.52
Rot. Bonds8

About 1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol

1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol (PubChem CID 54102677) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol
PubChem CID54102677
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol
SMILESCOc1cccc(-c2ccc(OCC(O)CCc3ccncc3)cc2)n1
InChIInChI=1S/C21H22N2O3/c1-25-21-4-2-3-20(23-21)17-6-9-19(10-7-17)26-15-18(24)8-5-16-11-13-22-14-12-16/h2-4,6-7,9-14,18,24H,5,8,15H2,1H3
InChIKeyNBPFVCJGTMKCJX-UHFFFAOYSA-N
XLogP3.52
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-pyridin-4-ylbutan-2-ol
CID 79422011
1-ethoxy-4-pyridin-4-ylbutan-2-ol
CID 105111732
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105125656
4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one
CID 54376995
1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol
CID 19362455
1-(4-chlorophenoxy)-3-[(6-methoxy-2-pyridinyl)-methylamino]propan-2-ol
CID 3324139
benzyl-[2-hydroxy-3-(4-phenylphenoxy)propyl]-dimethylazanium
CID 91670455
6-methyl-1-pyridin-4-ylheptan-3-ol
CID 105085467
methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate
CID 171697651
4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one
CID 20637932
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105086648
(2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol
CID 70240277

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol?
The IUPAC name of 1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol (CID 54102677) is 1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol.
What is the SMILES notation for 1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol?
The canonical SMILES for 1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol is COc1cccc(-c2ccc(OCC(O)CCc3ccncc3)cc2)n1.
What is the InChIKey of 1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol?
The InChIKey is NBPFVCJGTMKCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-21-4-2-3-20(23-21)17-6-9-19(10-7-17)26-15-18(24)8-5-16-11-13-22-14-12-16/h2-4,6-7,9-14,18,24H,5,8,15H2,1H3.
What are the key properties of 1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol?
1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol has a molecular weight of 350.42 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol is sourced from PubChem (CID 54102677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).