5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one

C15H16ClNO2 — CID 67281749

IUPAC5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one
SMILESCn1cc(-c2ccc(OCCCCl)cc2)ccc1=O
InChIInChI=1S/C15H16ClNO2/c1-17-11-13(5-8-15(17)18)12-3-6-14(7-4-12)19-10-2-9-16/h3-8,11H,2,9-10H2,1H3
InChIKeyKFSPFCXPYHDTFQ-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.06
Rot. Bonds5

About 5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one

5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one (PubChem CID 67281749) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one
PubChem CID67281749
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one
SMILESCn1cc(-c2ccc(OCCCCl)cc2)ccc1=O
InChIInChI=1S/C15H16ClNO2/c1-17-11-13(5-8-15(17)18)12-3-6-14(7-4-12)19-10-2-9-16/h3-8,11H,2,9-10H2,1H3
InChIKeyKFSPFCXPYHDTFQ-UHFFFAOYSA-N
XLogP3.06
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one (CID 67281749) is 5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one is Cn1cc(-c2ccc(OCCCCl)cc2)ccc1=O.
What is the InChIKey of 5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one?
The InChIKey is KFSPFCXPYHDTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-17-11-13(5-8-15(17)18)12-3-6-14(7-4-12)19-10-2-9-16/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one?
5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one has a molecular weight of 277.75 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chloropropoxy)phenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 67281749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).