1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone

C10H11FO2 — CID 171014376

IUPAC1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone
SMILESCOc1cc(C)c(C(C)=O)c(F)c1
InChIInChI=1S/C10H11FO2/c1-6-4-8(13-3)5-9(11)10(6)7(2)12/h4-5H,1-3H3
InChIKeyGQULTFQMQQOKKH-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.35
Rot. Bonds2

About 1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone

1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone (PubChem CID 171014376) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone
PubChem CID171014376
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone
SMILESCOc1cc(C)c(C(C)=O)c(F)c1
InChIInChI=1S/C10H11FO2/c1-6-4-8(13-3)5-9(11)10(6)7(2)12/h4-5H,1-3H3
InChIKeyGQULTFQMQQOKKH-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

2-acetyl-5-methoxy-3-methylbenzaldehyde
CID 171021754
(2,6-difluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 54880508
2-acetyloxy-6-fluoro-4-methoxybenzoic acid
CID 18183431
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone
CID 84668084
(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187510
(3-bromo-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 104850995
(2,6-difluoro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 65237489
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one
CID 18967825
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 79982235
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone?
The IUPAC name of 1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone (CID 171014376) is 1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone?
The canonical SMILES for 1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone is COc1cc(C)c(C(C)=O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone?
The InChIKey is GQULTFQMQQOKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-6-4-8(13-3)5-9(11)10(6)7(2)12/h4-5H,1-3H3.
What are the key properties of 1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone?
1-(2-fluoro-4-methoxy-6-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-(2-fluoro-4-methoxy-6-methylphenyl)ethanone is sourced from PubChem (CID 171014376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).