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

C10H11FO2 — CID 84658393

IUPAC1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
SMILESCOc1c(C)ccc(F)c1C(C)=O
InChIInChI=1S/C10H11FO2/c1-6-4-5-8(11)9(7(2)12)10(6)13-3/h4-5H,1-3H3
InChIKeyUTTNIQKPHPFZGC-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.35
Rot. Bonds2

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

1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone (PubChem CID 84658393) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
PubChem CID84658393
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
SMILESCOc1c(C)ccc(F)c1C(C)=O
InChIInChI=1S/C10H11FO2/c1-6-4-5-8(11)9(7(2)12)10(6)13-3/h4-5H,1-3H3
InChIKeyUTTNIQKPHPFZGC-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

6-fluoro-2-methoxy-3-methylbenzoic acid
CID 84659421
1-(6-fluoro-3-methoxy-2-methylphenyl)ethanone
CID 84658392
1-(3-fluoro-6-hydroxy-2-methoxyphenyl)ethanone
CID 14118953
1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
CID 2773655
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone
CID 84658391
1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone
CID 84668084
1-(3-chloro-2-methoxy-6-methylphenyl)ethanone
CID 84668544
2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid
CID 84668066
methyl 2,6-difluoro-3-methylbenzoate
CID 55255639
1-(2-fluoro-3,6-dimethylphenyl)ethanone
CID 84765074
1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone
CID 175220601

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone?
The IUPAC name of 1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone (CID 84658393) is 1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone.
What is the SMILES notation for 1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone?
The canonical SMILES for 1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone is COc1c(C)ccc(F)c1C(C)=O.
What is the InChIKey of 1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone?
The InChIKey is UTTNIQKPHPFZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-6-4-5-8(11)9(7(2)12)10(6)13-3/h4-5H,1-3H3.
What are the key properties of 1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone?
1-(6-fluoro-2-methoxy-3-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-(6-fluoro-2-methoxy-3-methylphenyl)ethanone is sourced from PubChem (CID 84658393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).