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

C20H21Cl2NO — CID 67788015

IUPAC3-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol
SMILESOCCC(c1ccc(Cl)cc1)N1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21Cl2NO/c21-18-5-1-15(2-6-18)16-9-12-23(13-10-16)20(11-14-24)17-3-7-19(22)8-4-17/h1-9,20,24H,10-14H2
InChIKeyLKVHPIUFXYZZMG-UHFFFAOYSA-N
MW362.30 g/mol
LogP5.21
Rot. Bonds5

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

3-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol (PubChem CID 67788015) has the molecular formula C20H21Cl2NO and a molecular weight of 362.30 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol
PubChem CID67788015
Molecular FormulaC20H21Cl2NO
Molecular Weight362.30 g/mol
Exact Mass361.10
IUPAC Name3-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol
SMILESOCCC(c1ccc(Cl)cc1)N1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21Cl2NO/c21-18-5-1-15(2-6-18)16-9-12-23(13-10-16)20(11-14-24)17-3-7-19(22)8-4-17/h1-9,20,24H,10-14H2
InChIKeyLKVHPIUFXYZZMG-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol?
The IUPAC name of 3-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol (CID 67788015) is 3-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol?
The canonical SMILES for 3-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol is OCCC(c1ccc(Cl)cc1)N1CC=C(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol?
The InChIKey is LKVHPIUFXYZZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO/c21-18-5-1-15(2-6-18)16-9-12-23(13-10-16)20(11-14-24)17-3-7-19(22)8-4-17/h1-9,20,24H,10-14H2.
What are the key properties of 3-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol?
3-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-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 3-(4-chlorophenyl)-3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol is sourced from PubChem (CID 67788015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).