3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol

C22H26ClNO3 — CID 23362116

IUPAC3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)CCN2CC=C(c3ccc(Cl)cc3)CC2)c(OC)c1
InChIInChI=1S/C22H26ClNO3/c1-26-19-7-8-20(22(15-19)27-2)21(25)11-14-24-12-9-17(10-13-24)16-3-5-18(23)6-4-16/h3-9,15,21,25H,10-14H2,1-2H3
InChIKeyNSORQLWYLRWAQG-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.57
Rot. Bonds7

About 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol

3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol (PubChem CID 23362116) has the molecular formula C22H26ClNO3 and a molecular weight of 387.91 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol
PubChem CID23362116
Molecular FormulaC22H26ClNO3
Molecular Weight387.91 g/mol
Exact Mass387.16
IUPAC Name3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)CCN2CC=C(c3ccc(Cl)cc3)CC2)c(OC)c1
InChIInChI=1S/C22H26ClNO3/c1-26-19-7-8-20(22(15-19)27-2)21(25)11-14-24-12-9-17(10-13-24)16-3-5-18(23)6-4-16/h3-9,15,21,25H,10-14H2,1-2H3
InChIKeyNSORQLWYLRWAQG-UHFFFAOYSA-N
XLogP4.57
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol with MolForge

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Related Compounds

3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol
CID 23362144
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol
CID 82074098
3-(azepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 82105585
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
1-(2-methoxy-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol
CID 21151554
1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82093877
1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82074086
2-(6-chlorospiro[chromene-2,4'-piperidine]-1'-yl)-1-(2,4-dimethoxyphenyl)ethanol
CID 110222646
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8754329
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
(2S)-3-[4-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 25104183

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol (CID 23362116) is 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol is COc1ccc(C(O)CCN2CC=C(c3ccc(Cl)cc3)CC2)c(OC)c1.
What is the InChIKey of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol?
The InChIKey is NSORQLWYLRWAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO3/c1-26-19-7-8-20(22(15-19)27-2)21(25)11-14-24-12-9-17(10-13-24)16-3-5-18(23)6-4-16/h3-9,15,21,25H,10-14H2,1-2H3.
What are the key properties of 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol?
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol has a molecular weight of 387.91 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 23362116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).