2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone

C15H14ClNO2 — CID 106865544

IUPAC2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
SMILESCOc1cnccc1C(=O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10-3-4-11(13(16)7-10)8-14(18)12-5-6-17-9-15(12)19-2/h3-7,9H,8H2,1-2H3
InChIKeyBAQGUXHKWBRKFF-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.48
Rot. Bonds4

About 2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone

2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone (PubChem CID 106865544) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
PubChem CID106865544
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
SMILESCOc1cnccc1C(=O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10-3-4-11(13(16)7-10)8-14(18)12-5-6-17-9-15(12)19-2/h3-7,9H,8H2,1-2H3
InChIKeyBAQGUXHKWBRKFF-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 106867165
2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 103042865
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065080
(2,5-dimethylphenyl)-(3-methoxy-4-pyridinyl)methanone
CID 105064875
1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone
CID 105064886
2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethanone
CID 106866928
2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106865397
2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877516
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965715
1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 106865501

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone (CID 106865544) is 2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone is COc1cnccc1C(=O)Cc1ccc(C)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone?
The InChIKey is BAQGUXHKWBRKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-3-4-11(13(16)7-10)8-14(18)12-5-6-17-9-15(12)19-2/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone?
2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone has a molecular weight of 275.74 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone is sourced from PubChem (CID 106865544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).