5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol

C24H27NO2 — CID 18367564

IUPAC5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol
SMILESCC(C)C(Oc1ccc(-c2ccccc2)cc1)C(O)CCc1cccnc1
InChIInChI=1S/C24H27NO2/c1-18(2)24(23(26)15-10-19-7-6-16-25-17-19)27-22-13-11-21(12-14-22)20-8-4-3-5-9-20/h3-9,11-14,16-18,23-24,26H,10,15H2,1-2H3
InChIKeyCXZXGBOPQVMNBT-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.15
Rot. Bonds8

About 5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol

5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol (PubChem CID 18367564) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol.

Molecular Properties

Compound Name5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol
PubChem CID18367564
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol
SMILESCC(C)C(Oc1ccc(-c2ccccc2)cc1)C(O)CCc1cccnc1
InChIInChI=1S/C24H27NO2/c1-18(2)24(23(26)15-10-19-7-6-16-25-17-19)27-22-13-11-21(12-14-22)20-8-4-3-5-9-20/h3-9,11-14,16-18,23-24,26H,10,15H2,1-2H3
InChIKeyCXZXGBOPQVMNBT-UHFFFAOYSA-N
XLogP5.15
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
CID 59970467
(3R,4S)-4-[4-[3-[2-(methylamino)ethyl]phenyl]phenoxy]-1-pyridin-3-ylpentan-3-ol
CID 59970499
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
(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
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)butanamide
CID 17199653
4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol
CID 18367612
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate
CID 174405332
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 5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol?
The IUPAC name of 5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol (CID 18367564) is 5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol.
What is the SMILES notation for 5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol?
The canonical SMILES for 5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol is CC(C)C(Oc1ccc(-c2ccccc2)cc1)C(O)CCc1cccnc1.
What is the InChIKey of 5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol?
The InChIKey is CXZXGBOPQVMNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-18(2)24(23(26)15-10-19-7-6-16-25-17-19)27-22-13-11-21(12-14-22)20-8-4-3-5-9-20/h3-9,11-14,16-18,23-24,26H,10,15H2,1-2H3.
What are the key properties of 5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol?
5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol has a molecular weight of 361.49 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol is sourced from PubChem (CID 18367564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).