2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one

C15H14ClNO2 — CID 105113491

IUPAC2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccncc1C(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO2/c1-10-6-7-17-9-14(10)15(18)11(2)19-13-5-3-4-12(16)8-13/h3-9,11H,1-2H3
InChIKeyFWWZFOZTQVGODY-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.69
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one

2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one (PubChem CID 105113491) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one
PubChem CID105113491
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccncc1C(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO2/c1-10-6-7-17-9-14(10)15(18)11(2)19-13-5-3-4-12(16)8-13/h3-9,11H,1-2H3
InChIKeyFWWZFOZTQVGODY-UHFFFAOYSA-N
XLogP3.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110798
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one
CID 105099319
2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one
CID 105123701
2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one
CID 105111629
(2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide
CID 124574267
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
4-(3-chlorophenoxy)-2-methylpent-1-en-3-one
CID 105113093
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide
CID 55610413
N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 62229280

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one (CID 105113491) is 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one is Cc1ccncc1C(=O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one?
The InChIKey is FWWZFOZTQVGODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-6-7-17-9-14(10)15(18)11(2)19-13-5-3-4-12(16)8-13/h3-9,11H,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one?
2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one has a molecular weight of 275.74 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 105113491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).