1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone

C10H11FO2 — CID 84658391

IUPAC1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone
SMILESCOc1ccc(F)c(C)c1C(C)=O
InChIInChI=1S/C10H11FO2/c1-6-8(11)4-5-9(13-3)10(6)7(2)12/h4-5H,1-3H3
InChIKeyRVQABGBVHICIDI-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.35
Rot. Bonds2

About 1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone

1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone (PubChem CID 84658391) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone
PubChem CID84658391
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone
SMILESCOc1ccc(F)c(C)c1C(C)=O
InChIInChI=1S/C10H11FO2/c1-6-8(11)4-5-9(13-3)10(6)7(2)12/h4-5H,1-3H3
InChIKeyRVQABGBVHICIDI-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-3-methoxy-2-methylphenyl)ethanone
CID 84658392
1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one
CID 91305011
CID 158943354
CID 158943354
3-acetyl-4-methoxy-2-methylbenzaldehyde
CID 171021510
2-acetyl-3-fluoro-6-methoxybenzonitrile
CID 83410546
1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
CID 84658393
1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701
3-fluoro-6-methoxy-2-methylaniline;hydrochloride
CID 162333711
1-(2-iodo-6-methoxy-3-methylphenyl)ethanone
CID 171010641
1-[6-methoxy-3-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 170996815
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)ethanone
CID 84769280
1-(3-fluoro-6-hydroxy-2-methoxyphenyl)ethanone
CID 14118953

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone?
The IUPAC name of 1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone (CID 84658391) is 1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone?
The canonical SMILES for 1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone is COc1ccc(F)c(C)c1C(C)=O.
What is the InChIKey of 1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone?
The InChIKey is RVQABGBVHICIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-6-8(11)4-5-9(13-3)10(6)7(2)12/h4-5H,1-3H3.
What are the key properties of 1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone?
1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone has a molecular weight of 182.19 g/mol, XLogP of 2.35, 2 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)ethanone is sourced from PubChem (CID 84658391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).