3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one

C15H16ClNO2 — CID 54710104

IUPAC3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one
SMILESCCCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H16ClNO2/c1-2-8-17-9-7-14(18)13(15(17)19)10-11-3-5-12(16)6-4-11/h3-7,9,18H,2,8,10H2,1H3
InChIKeyLIHHOYWEMKSHCD-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.21
Rot. Bonds4

About 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one

3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one (PubChem CID 54710104) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one
PubChem CID54710104
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one
SMILESCCCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H16ClNO2/c1-2-8-17-9-7-14(18)13(15(17)19)10-11-3-5-12(16)6-4-11/h3-7,9,18H,2,8,10H2,1H3
InChIKeyLIHHOYWEMKSHCD-UHFFFAOYSA-N
XLogP3.21
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one (CID 54710104) is 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one is CCCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one?
The InChIKey is LIHHOYWEMKSHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-8-17-9-7-14(18)13(15(17)19)10-11-3-5-12(16)6-4-11/h3-7,9,18H,2,8,10H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one?
3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one has a molecular weight of 277.75 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-propylpyridin-2-one is sourced from PubChem (CID 54710104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).