1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one

C15H16ClNO — CID 123967008

IUPAC1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one
SMILESCCc1cc(CCl)ccc1Cn1ccccc1=O
InChIInChI=1S/C15H16ClNO/c1-2-13-9-12(10-16)6-7-14(13)11-17-8-4-3-5-15(17)18/h3-9H,2,10-11H2,1H3
InChIKeyGANQUXQKKRTTKC-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.20
Rot. Bonds4

About 1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one

1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one (PubChem CID 123967008) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one
PubChem CID123967008
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one
SMILESCCc1cc(CCl)ccc1Cn1ccccc1=O
InChIInChI=1S/C15H16ClNO/c1-2-13-9-12(10-16)6-7-14(13)11-17-8-4-3-5-15(17)18/h3-9H,2,10-11H2,1H3
InChIKeyGANQUXQKKRTTKC-UHFFFAOYSA-N
XLogP3.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(chloromethyl)phenyl]methyl]pyridin-2-one;1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 158637113
methyl 3-[3-[3-ethyl-4-[(2-oxo-1-pyridinyl)methyl]phenyl]propyl]-4-hydroxybenzoate
CID 123317340
1-[(4-butan-2-ylphenyl)methyl]pyridin-2-one
CID 130348251
1-[(2-fluorophenyl)methyl]pyridin-2-one
CID 664770
1-(pyridin-4-ylmethyl)pyridin-2-one
CID 112684898
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817
1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one
CID 118907167
1,1-diethyl-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111079756
3-methyl-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 114485600
1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 118212736
1-(1-benzothiophen-3-ylmethyl)pyridin-2-one
CID 116618456
1-butyl-3-ethyl-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111150075

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one?
The IUPAC name of 1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one (CID 123967008) is 1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one is CCc1cc(CCl)ccc1Cn1ccccc1=O.
What is the InChIKey of 1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one?
The InChIKey is GANQUXQKKRTTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-2-13-9-12(10-16)6-7-14(13)11-17-8-4-3-5-15(17)18/h3-9H,2,10-11H2,1H3.
What are the key properties of 1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one?
1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one has a molecular weight of 261.75 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(chloromethyl)-2-ethylphenyl]methyl]pyridin-2-one is sourced from PubChem (CID 123967008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).