2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride

C22H23Cl2NO2 — CID 68790293

IUPAC2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride
SMILESCOc1ccc(Cc2ccc(C(C)(C)O)nc2)cc1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C22H22ClNO2.ClH/c1-22(2,25)21-10-8-16(14-24-21)11-15-7-9-20(26-3)19(12-15)17-5-4-6-18(23)13-17;/h4-10,12-14,25H,11H2,1-3H3;1H
InChIKeyDGFOKJCXJZARHT-UHFFFAOYSA-N
MW404.34 g/mol
LogP5.65
Rot. Bonds5

About 2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride

2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride (PubChem CID 68790293) has the molecular formula C22H23Cl2NO2 and a molecular weight of 404.34 g/mol. Its IUPAC name is 2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride
PubChem CID68790293
Molecular FormulaC22H23Cl2NO2
Molecular Weight404.34 g/mol
Exact Mass403.11
IUPAC Name2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride
SMILESCOc1ccc(Cc2ccc(C(C)(C)O)nc2)cc1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C22H22ClNO2.ClH/c1-22(2,25)21-10-8-16(14-24-21)11-15-7-9-20(26-3)19(12-15)17-5-4-6-18(23)13-17;/h4-10,12-14,25H,11H2,1-3H3;1H
InChIKeyDGFOKJCXJZARHT-UHFFFAOYSA-N
XLogP5.65
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.34
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride with MolForge

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Related Compounds

Mln-3897
CID 11527774
(4S)-4-(4-chlorophenyl)-1-[(3Z)-3-[9-(2-hydroxypropan-2-yl)-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene]propyl]-3,3-dimethylpiperidin-4-ol
CID 66686405
3-(3-(3-Chlorobenzyloxy)-5-methylphenyl)pyridine
CID 44409820
[(2S)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-2-methylphenoxy]ethyl]pyrrolidin-2-yl]methanol
CID 59835879
8-((2-Chloro-4-methylphenyl)(2-chlorophenyl)methyl)-3-((5-methoxypyridin-2-yl)methyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 44574587
(4-Chlorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 56658938
(4-Chlorophenyl)-(2-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 56669042
(4-Chlorophenyl)-(3-methoxyphenyl)-pyridin-3-ylmethanol
CID 56679206
(4-Chlorophenyl)-(4-methoxyphenyl)-pyridin-3-ylmethanol
CID 56682759
2-[[2-(4-Methoxyphenyl)-4-methylphenoxy]methyl]pyridine
CID 145980993
2-(3-chlorophenyl)-3-(111C)methoxy-6-(pyridin-4-ylmethyl)pyridine
CID 168269904
[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](4-methoxyphenyl)methanol
CID 4522761

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride?
The IUPAC name of 2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride (CID 68790293) is 2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride.
What is the SMILES notation for 2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride?
The canonical SMILES for 2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride is COc1ccc(Cc2ccc(C(C)(C)O)nc2)cc1-c1cccc(Cl)c1.Cl.
What is the InChIKey of 2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride?
The InChIKey is DGFOKJCXJZARHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2.ClH/c1-22(2,25)21-10-8-16(14-24-21)11-15-7-9-20(26-3)19(12-15)17-5-4-6-18(23)13-17;/h4-10,12-14,25H,11H2,1-3H3;1H.
What are the key properties of 2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride?
2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride has a molecular weight of 404.34 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride is sourced from PubChem (CID 68790293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).