1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one

C16H16FNO2 — CID 114347314

IUPAC1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccc(F)cc2C)cn1
InChIInChI=1S/C16H16FNO2/c1-11-7-14(17)5-4-13(11)9-15(19)8-12-3-6-16(20-2)18-10-12/h3-7,10H,8-9H2,1-2H3
InChIKeyIQFNDJQBYQJAQS-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.89
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one

1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one (PubChem CID 114347314) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one
PubChem CID114347314
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccc(F)cc2C)cn1
InChIInChI=1S/C16H16FNO2/c1-11-7-14(17)5-4-13(11)9-15(19)8-12-3-6-16(20-2)18-10-12/h3-7,10H,8-9H2,1-2H3
InChIKeyIQFNDJQBYQJAQS-UHFFFAOYSA-N
XLogP2.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171564
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171563
4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one
CID 82920700
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
1-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-one
CID 114347218
1-bromo-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 130882304
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347298

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one (CID 114347314) is 1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one is COc1ccc(CC(=O)Cc2ccc(F)cc2C)cn1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one?
The InChIKey is IQFNDJQBYQJAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-7-14(17)5-4-13(11)9-15(19)8-12-3-6-16(20-2)18-10-12/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one?
1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one has a molecular weight of 273.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one is sourced from PubChem (CID 114347314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).