1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one

C15H14ClNO2 — CID 25140866

IUPAC1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one
SMILESO=C(CC(O)Cc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c16-12-6-4-11(5-7-12)15(19)10-14(18)9-13-3-1-2-8-17-13/h1-8,14,18H,9-10H2
InChIKeyDEMZILULGSEQKA-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.91
Rot. Bonds5

About 1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one

1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one (PubChem CID 25140866) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one
PubChem CID25140866
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one
SMILESO=C(CC(O)Cc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c16-12-6-4-11(5-7-12)15(19)10-14(18)9-13-3-1-2-8-17-13/h1-8,14,18H,9-10H2
InChIKeyDEMZILULGSEQKA-UHFFFAOYSA-N
XLogP2.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one (CID 25140866) is 1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one is O=C(CC(O)Cc1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one?
The InChIKey is DEMZILULGSEQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-12-6-4-11(5-7-12)15(19)10-14(18)9-13-3-1-2-8-17-13/h1-8,14,18H,9-10H2.
What are the key properties of 1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one?
1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one has a molecular weight of 275.74 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-hydroxy-4-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 25140866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).