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

C15H14ClNO2 — CID 54686742

IUPAC3-[(4-chlorophenyl)methyl]-4-hydroxy-1-prop-2-enylpyridin-2-one
SMILESC=CCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H14ClNO2/c1-2-8-17-9-7-14(18)13(15(17)19)10-11-3-5-12(16)6-4-11/h2-7,9,18H,1,8,10H2
InChIKeyCGNXHLMIDNSTOX-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.98
Rot. Bonds4

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

3-[(4-chlorophenyl)methyl]-4-hydroxy-1-prop-2-enylpyridin-2-one (PubChem CID 54686742) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-prop-2-enylpyridin-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-4-hydroxy-1-prop-2-enylpyridin-2-one
PubChem CID54686742
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name3-[(4-chlorophenyl)methyl]-4-hydroxy-1-prop-2-enylpyridin-2-one
SMILESC=CCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H14ClNO2/c1-2-8-17-9-7-14(18)13(15(17)19)10-11-3-5-12(16)6-4-11/h2-7,9,18H,1,8,10H2
InChIKeyCGNXHLMIDNSTOX-UHFFFAOYSA-N
XLogP2.98
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-prop-2-enylpyridin-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-prop-2-enylpyridin-2-one (CID 54686742) is 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-prop-2-enylpyridin-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-prop-2-enylpyridin-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-prop-2-enylpyridin-2-one is C=CCn1ccc(O)c(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-prop-2-enylpyridin-2-one?
The InChIKey is CGNXHLMIDNSTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-2-8-17-9-7-14(18)13(15(17)19)10-11-3-5-12(16)6-4-11/h2-7,9,18H,1,8,10H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-4-hydroxy-1-prop-2-enylpyridin-2-one?
3-[(4-chlorophenyl)methyl]-4-hydroxy-1-prop-2-enylpyridin-2-one has a molecular weight of 275.74 g/mol, XLogP of 2.98, 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-prop-2-enylpyridin-2-one is sourced from PubChem (CID 54686742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).