1-(4-fluoro-2,6-dimethoxyphenyl)ethanone

C10H11FO3 — CID 117287701

IUPAC1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
SMILESCOc1cc(F)cc(OC)c1C(C)=O
InChIInChI=1S/C10H11FO3/c1-6(12)10-8(13-2)4-7(11)5-9(10)14-3/h4-5H,1-3H3
InChIKeyHMIBJGKRBBMFNP-UHFFFAOYSA-N
MW198.19 g/mol
LogP2.05
Rot. Bonds3

About 1-(4-fluoro-2,6-dimethoxyphenyl)ethanone

1-(4-fluoro-2,6-dimethoxyphenyl)ethanone (PubChem CID 117287701) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
PubChem CID117287701
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
SMILESCOc1cc(F)cc(OC)c1C(C)=O
InChIInChI=1S/C10H11FO3/c1-6(12)10-8(13-2)4-7(11)5-9(10)14-3/h4-5H,1-3H3
InChIKeyHMIBJGKRBBMFNP-UHFFFAOYSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone
CID 131332595
1-(2,5-difluoro-3-methoxyphenyl)ethanone
CID 84660399
1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
1-(4-tert-butyl-2,6-dimethoxyphenyl)ethanone
CID 67914983
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone
CID 171018286
4-fluoro-2-methoxy-6-methylbenzamide
CID 69408155
1-(3-bromo-2-fluoro-4,6-dimethoxyphenyl)ethanone
CID 84811157
3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one
CID 84783757
methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate
CID 171017402
2-bromo-1-(2-chloro-4-fluoro-6-methoxyphenyl)ethanone
CID 86690853
acetic acid;1,3,5-trifluorobenzene
CID 162178148

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,6-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(4-fluoro-2,6-dimethoxyphenyl)ethanone (CID 117287701) is 1-(4-fluoro-2,6-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-fluoro-2,6-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(4-fluoro-2,6-dimethoxyphenyl)ethanone is COc1cc(F)cc(OC)c1C(C)=O.
What is the InChIKey of 1-(4-fluoro-2,6-dimethoxyphenyl)ethanone?
The InChIKey is HMIBJGKRBBMFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6(12)10-8(13-2)4-7(11)5-9(10)14-3/h4-5H,1-3H3.
What are the key properties of 1-(4-fluoro-2,6-dimethoxyphenyl)ethanone?
1-(4-fluoro-2,6-dimethoxyphenyl)ethanone has a molecular weight of 198.19 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,6-dimethoxyphenyl)ethanone is sourced from PubChem (CID 117287701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).