1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone

C14H12ClNO2 — CID 59626117

IUPAC1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cncc(Cl)c2)cc1
InChIInChI=1S/C14H12ClNO2/c1-10(17)12-2-4-14(5-3-12)18-9-11-6-13(15)8-16-7-11/h2-8H,9H2,1H3
InChIKeyZDLIILRLCFKPON-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.52
Rot. Bonds4

About 1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone

1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone (PubChem CID 59626117) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone
PubChem CID59626117
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cncc(Cl)c2)cc1
InChIInChI=1S/C14H12ClNO2/c1-10(17)12-2-4-14(5-3-12)18-9-11-6-13(15)8-16-7-11/h2-8H,9H2,1H3
InChIKeyZDLIILRLCFKPON-UHFFFAOYSA-N
XLogP3.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone
CID 2216486
1-[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]ethanone
CID 90444035
1-[7-[(3-chlorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
CID 90444039
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
5-[(4-fluorophenoxy)methyl]pyridine-3-carboxylic acid
CID 117212713
5-[(4-aminophenoxy)methyl]pyridine-3-carboxamide
CID 91586883
N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide
CID 102881387
1-[3-[(4-chlorophenoxy)methyl]-4-ethoxyphenyl]ethanone
CID 60627754
5-[(4-acetylphenoxy)methyl]-2-fluorobenzonitrile
CID 103758764
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone (CID 59626117) is 1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2cncc(Cl)c2)cc1.
What is the InChIKey of 1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone?
The InChIKey is ZDLIILRLCFKPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-10(17)12-2-4-14(5-3-12)18-9-11-6-13(15)8-16-7-11/h2-8H,9H2,1H3.
What are the key properties of 1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone?
1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone has a molecular weight of 261.71 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 59626117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).