1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol

C20H21Cl2NO — CID 54565754

IUPAC1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
SMILESOC(CCN1CC=C(c2ccccc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H21Cl2NO/c21-17-6-7-18(19(22)14-17)20(24)10-13-23-11-8-16(9-12-23)15-4-2-1-3-5-15/h1-8,14,20,24H,9-13H2
InChIKeyZTRSSFRLXNCRGT-UHFFFAOYSA-N
MW362.30 g/mol
LogP5.21
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol

1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol (PubChem CID 54565754) has the molecular formula C20H21Cl2NO and a molecular weight of 362.30 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
PubChem CID54565754
Molecular FormulaC20H21Cl2NO
Molecular Weight362.30 g/mol
Exact Mass361.10
IUPAC Name1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
SMILESOC(CCN1CC=C(c2ccccc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H21Cl2NO/c21-17-6-7-18(19(22)14-17)20(24)10-13-23-11-8-16(9-12-23)15-4-2-1-3-5-15/h1-8,14,20,24H,9-13H2
InChIKeyZTRSSFRLXNCRGT-UHFFFAOYSA-N
XLogP5.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[chloro(phenyl)methyl]phenyl]-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 67893663
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-ol
CID 23362116
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol
CID 23362144
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;hydrochloride
CID 131711213
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol
CID 3072614
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486
1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(2,4-dichlorophenyl)propan-2-one;hydrochloride
CID 67770521
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 55989486
ethyl N-(2-carbamoyl-5-chlorophenyl)-N-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]carbamate
CID 19087680
6-chloro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione
CID 19087747
1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol
CID 62630518
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol (CID 54565754) is 1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol is OC(CCN1CC=C(c2ccccc2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
The InChIKey is ZTRSSFRLXNCRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO/c21-17-6-7-18(19(22)14-17)20(24)10-13-23-11-8-16(9-12-23)15-4-2-1-3-5-15/h1-8,14,20,24H,9-13H2.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol?
1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol has a molecular weight of 362.30 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol is sourced from PubChem (CID 54565754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).