1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one

C11H13FO3 — CID 14850156

IUPAC1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one
SMILESCCC(=O)c1c(OC)ccc(F)c1OC
InChIInChI=1S/C11H13FO3/c1-4-8(13)10-9(14-2)6-5-7(12)11(10)15-3/h5-6H,4H2,1-3H3
InChIKeyPTWBSXQSHQFQCA-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.44
Rot. Bonds4

About 1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one

1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one (PubChem CID 14850156) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one
PubChem CID14850156
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one
SMILESCCC(=O)c1c(OC)ccc(F)c1OC
InChIInChI=1S/C11H13FO3/c1-4-8(13)10-9(14-2)6-5-7(12)11(10)15-3/h5-6H,4H2,1-3H3
InChIKeyPTWBSXQSHQFQCA-UHFFFAOYSA-N
XLogP2.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one
CID 91305011
1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 69108587
1-(3,5-difluoro-4-methoxyphenyl)propan-1-one
CID 2737020
ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117398829
CID 88999246
CID 88999246
1-(3-fluoro-6-hydroxy-2-methoxyphenyl)ethanone
CID 14118953
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
ethyl 6-bromo-3-fluoro-2-methoxybenzoate
CID 171010405
3-amino-1-(4-fluoro-2,3-dimethoxyphenyl)propan-1-one
CID 117326576
2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid
CID 117328468
1-(2,4,5-trifluoro-3-methoxy-6-methylphenyl)propan-1-one
CID 91055642
1-(2,6-dihydroxy-3,4,5-trimethoxyphenyl)propan-1-one
CID 620679

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one?
The IUPAC name of 1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one (CID 14850156) is 1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one is CCC(=O)c1c(OC)ccc(F)c1OC.
What is the InChIKey of 1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one?
The InChIKey is PTWBSXQSHQFQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-4-8(13)10-9(14-2)6-5-7(12)11(10)15-3/h5-6H,4H2,1-3H3.
What are the key properties of 1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one?
1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one has a molecular weight of 212.22 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 14850156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).