6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol

C20H20ClNO — CID 134235561

IUPAC6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol
SMILESOC1CCN=C(C(=Cc2ccc(Cl)cc2)Cc2ccccc2)C1
InChIInChI=1S/C20H20ClNO/c21-18-8-6-16(7-9-18)13-17(12-15-4-2-1-3-5-15)20-14-19(23)10-11-22-20/h1-9,13,19,23H,10-12,14H2
InChIKeyJSXIBZNJHKVFJW-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.56
Rot. Bonds4

About 6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol

6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol (PubChem CID 134235561) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is 6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol.

Molecular Properties

Compound Name6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol
PubChem CID134235561
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC Name6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol
SMILESOC1CCN=C(C(=Cc2ccc(Cl)cc2)Cc2ccccc2)C1
InChIInChI=1S/C20H20ClNO/c21-18-8-6-16(7-9-18)13-17(12-15-4-2-1-3-5-15)20-14-19(23)10-11-22-20/h1-9,13,19,23H,10-12,14H2
InChIKeyJSXIBZNJHKVFJW-UHFFFAOYSA-N
XLogP4.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol?
The IUPAC name of 6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol (CID 134235561) is 6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol.
What is the SMILES notation for 6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol?
The canonical SMILES for 6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol is OC1CCN=C(C(=Cc2ccc(Cl)cc2)Cc2ccccc2)C1.
What is the InChIKey of 6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol?
The InChIKey is JSXIBZNJHKVFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO/c21-18-8-6-16(7-9-18)13-17(12-15-4-2-1-3-5-15)20-14-19(23)10-11-22-20/h1-9,13,19,23H,10-12,14H2.
What are the key properties of 6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol?
6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol has a molecular weight of 325.84 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-2,3,4,5-tetrahydropyridin-4-ol is sourced from PubChem (CID 134235561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).