(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol

C22H23NO2 — CID 59970467

IUPAC(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
SMILESC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(O)CCc1cccnc1
InChIInChI=1S/C22H23NO2/c1-17(22(24)14-9-18-6-5-15-23-16-18)25-21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-8,10-13,15-17,22,24H,9,14H2,1H3/t17-,22?/m1/s1
InChIKeyXZUSIPDBUGNOCM-PLEWWHCXSA-N
MW333.43 g/mol
LogP4.51
Rot. Bonds7

About (4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol

(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol (PubChem CID 59970467) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol.

Molecular Properties

Compound Name(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
PubChem CID59970467
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
SMILESC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(O)CCc1cccnc1
InChIInChI=1S/C22H23NO2/c1-17(22(24)14-9-18-6-5-15-23-16-18)25-21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-8,10-13,15-17,22,24H,9,14H2,1H3/t17-,22?/m1/s1
InChIKeyXZUSIPDBUGNOCM-PLEWWHCXSA-N
XLogP4.51
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol
CID 18367564
(3R,4S)-4-[4-[3-[2-(methylamino)ethyl]phenyl]phenoxy]-1-pyridin-3-ylpentan-3-ol
CID 59970499
(3R,4S)-1-pyridin-3-yl-4-[4-[2-(trifluoromethoxy)phenyl]phenoxy]pentan-3-ol
CID 162542819
(3R,4S)-1-pyridin-3-yl-4-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenoxy]pentan-3-ol
CID 20692756
4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid
CID 18367521
2,2,2-trifluoro-N-[3-[4-[(2S)-3-hydroxy-5-pyridin-3-ylpentan-2-yl]oxyphenyl]phenyl]-N-methylacetamide
CID 59970472
4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol
CID 18367612
2,5-difluoro-4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzenesulfonamide
CID 20692758
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate
CID 174405332
(3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol
CID 141004420
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
bis[(3R,4S)-4-[4-(3-chlorophenyl)phenoxy]-1-pyridin-3-ylpentan-3-yl] oxalate
CID 70240920

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol?
The IUPAC name of (4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol (CID 59970467) is (4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol.
What is the SMILES notation for (4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol?
The canonical SMILES for (4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol is C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(O)CCc1cccnc1.
What is the InChIKey of (4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol?
The InChIKey is XZUSIPDBUGNOCM-PLEWWHCXSA-N. The full InChI is InChI=1S/C22H23NO2/c1-17(22(24)14-9-18-6-5-15-23-16-18)25-21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-8,10-13,15-17,22,24H,9,14H2,1H3/t17-,22?/m1/s1.
What are the key properties of (4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol?
(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol has a molecular weight of 333.43 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol is sourced from PubChem (CID 59970467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).