(2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol

C21H20ClNO2 — CID 54290314

IUPAC(2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol
SMILESO[C@H](CCc1cccnc1)COc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C21H20ClNO2/c22-20-13-18(17-6-2-1-3-7-17)9-11-21(20)25-15-19(24)10-8-16-5-4-12-23-14-16/h1-7,9,11-14,19,24H,8,10,15H2/t19-/m1/s1
InChIKeyRXAVAOJYCADCPV-LJQANCHMSA-N
MW353.85 g/mol
LogP4.77
Rot. Bonds7

About (2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol

(2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol (PubChem CID 54290314) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is (2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol
PubChem CID54290314
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name(2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol
SMILESO[C@H](CCc1cccnc1)COc1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C21H20ClNO2/c22-20-13-18(17-6-2-1-3-7-17)9-11-21(20)25-15-19(24)10-8-16-5-4-12-23-14-16/h1-7,9,11-14,19,24H,8,10,15H2/t19-/m1/s1
InChIKeyRXAVAOJYCADCPV-LJQANCHMSA-N
XLogP4.77
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one
CID 54376995
4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one
CID 20637932
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
2-(2-chloro-4-phenylphenoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 78806460
(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
CID 59970467
(2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol
CID 70240277
3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264927
1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131
1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105076712
1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol
CID 106868066
5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol
CID 18367564
(3S)-1-pyridin-3-ylhex-5-en-3-ol
CID 124576146

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol?
The IUPAC name of (2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol (CID 54290314) is (2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for (2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol?
The canonical SMILES for (2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol is O[C@H](CCc1cccnc1)COc1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of (2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol?
The InChIKey is RXAVAOJYCADCPV-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20ClNO2/c22-20-13-18(17-6-2-1-3-7-17)9-11-21(20)25-15-19(24)10-8-16-5-4-12-23-14-16/h1-7,9,11-14,19,24H,8,10,15H2/t19-/m1/s1.
What are the key properties of (2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol?
(2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol has a molecular weight of 353.85 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 54290314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).