1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone

C17H18ClNO2 — CID 107101566

IUPAC1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(CC(=O)c2cccc(Cl)c2C)c1C
InChIInChI=1S/C17H18ClNO2/c1-10-9-19-15(12(3)17(10)21-4)8-16(20)13-6-5-7-14(18)11(13)2/h5-7,9H,8H2,1-4H3
InChIKeyIXVXMNBQYUSKKF-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.09
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone

1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (PubChem CID 107101566) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
PubChem CID107101566
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(CC(=O)c2cccc(Cl)c2C)c1C
InChIInChI=1S/C17H18ClNO2/c1-10-9-19-15(12(3)17(10)21-4)8-16(20)13-6-5-7-14(18)11(13)2/h5-7,9H,8H2,1-4H3
InChIKeyIXVXMNBQYUSKKF-UHFFFAOYSA-N
XLogP4.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62946334
1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 102802705
1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116581908
1-(3-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548641
1-(2,5-dibromophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968302
1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
1-(4-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548821
1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114905820
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 105090450
1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968240
1-chloro-1,1-difluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 112574809

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (CID 107101566) is 1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is COc1c(C)cnc(CC(=O)c2cccc(Cl)c2C)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The InChIKey is IXVXMNBQYUSKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-10-9-19-15(12(3)17(10)21-4)8-16(20)13-6-5-7-14(18)11(13)2/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone has a molecular weight of 303.79 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 107101566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).