1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone

C11H12F2O3 — CID 175220601

IUPAC1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone
SMILESCOc1c(C)c(OC)c(F)c(C(C)=O)c1F
InChIInChI=1S/C11H12F2O3/c1-5-10(15-3)8(12)7(6(2)14)9(13)11(5)16-4/h1-4H3
InChIKeyPLRCAWPIQMJUME-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.49
Rot. Bonds3

About 1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone

1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone (PubChem CID 175220601) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone
PubChem CID175220601
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone
SMILESCOc1c(C)c(OC)c(F)c(C(C)=O)c1F
InChIInChI=1S/C11H12F2O3/c1-5-10(15-3)8(12)7(6(2)14)9(13)11(5)16-4/h1-4H3
InChIKeyPLRCAWPIQMJUME-UHFFFAOYSA-N
XLogP2.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
CID 84658393
1-(2,4,5-trifluoro-3-methoxy-6-methylphenyl)propan-1-one
CID 91055642
2,4,5-trifluoro-6-methoxy-3-methylbenzoic acid
CID 23284714
1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone
CID 117311544
1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone
CID 84668084
1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone
CID 84658391
1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone
CID 123835256
4-cyano-2,5-difluoro-3-methoxy-6-methylbenzoic acid
CID 164945972
1-(6-fluoro-3-methoxy-2-methylphenyl)ethanone
CID 84658392
1-(3-fluoro-6-hydroxy-2-methoxyphenyl)ethanone
CID 14118953
1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone
CID 117297608
1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethanone
CID 19004302

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone?
The IUPAC name of 1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone (CID 175220601) is 1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone?
The canonical SMILES for 1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone is COc1c(C)c(OC)c(F)c(C(C)=O)c1F.
What is the InChIKey of 1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone?
The InChIKey is PLRCAWPIQMJUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-5-10(15-3)8(12)7(6(2)14)9(13)11(5)16-4/h1-4H3.
What are the key properties of 1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone?
1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone has a molecular weight of 230.21 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3,5-dimethoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 175220601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).