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

C11H13FO2 — CID 91305011

IUPAC1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one
SMILESCCC(=O)c1c(OC)ccc(F)c1C
InChIInChI=1S/C11H13FO2/c1-4-9(13)11-7(2)8(12)5-6-10(11)14-3/h5-6H,4H2,1-3H3
InChIKeyKDIPCHUAWZYCEC-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.74
Rot. Bonds3

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

1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one (PubChem CID 91305011) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one
PubChem CID91305011
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one
SMILESCCC(=O)c1c(OC)ccc(F)c1C
InChIInChI=1S/C11H13FO2/c1-4-9(13)11-7(2)8(12)5-6-10(11)14-3/h5-6H,4H2,1-3H3
InChIKeyKDIPCHUAWZYCEC-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one
CID 14850156
1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone
CID 84658391
1-(6-fluoro-2,3-dimethylphenyl)propan-1-one
CID 123216967
1-(6-fluoro-3-methoxy-2-methylphenyl)ethanone
CID 84658392
CID 88999246
CID 88999246
8-(2,6-difluoro-3-methoxyphenyl)octan-3-one
CID 157048833
ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117367196
1-(2,4,5-trifluoro-3-methoxy-6-methylphenyl)propan-1-one
CID 91055642
3-fluoro-6-methoxy-2-methylaniline;hydrochloride
CID 162333711
ethyl 3-methoxy-2-propanoylbenzoate
CID 134642585
2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone
CID 171007000
1-(2-fluoro-5-methoxyphenyl)propan-1-one
CID 71322080

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one?
The IUPAC name of 1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one (CID 91305011) is 1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one?
The canonical SMILES for 1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one is CCC(=O)c1c(OC)ccc(F)c1C.
What is the InChIKey of 1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one?
The InChIKey is KDIPCHUAWZYCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-4-9(13)11-7(2)8(12)5-6-10(11)14-3/h5-6H,4H2,1-3H3.
What are the key properties of 1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one?
1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one has a molecular weight of 196.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one is sourced from PubChem (CID 91305011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).