1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone

C11H13FO3 — CID 83885726

IUPAC1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(F)c(OC)c(C(C)=O)c1
InChIInChI=1S/C11H13FO3/c1-7(13)9-4-8(6-14-2)5-10(12)11(9)15-3/h4-5H,6H2,1-3H3
InChIKeyRMWFQPQYQJBCMC-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.18
Rot. Bonds4

About 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone

1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone (PubChem CID 83885726) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
PubChem CID83885726
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
SMILESCOCc1cc(F)c(OC)c(C(C)=O)c1
InChIInChI=1S/C11H13FO3/c1-7(13)9-4-8(6-14-2)5-10(12)11(9)15-3/h4-5H,6H2,1-3H3
InChIKeyRMWFQPQYQJBCMC-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone
CID 84669284
2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 117326430
3-fluoro-5-(fluoromethyl)-2-methoxybenzoic acid
CID 84670427
methyl 3-fluoro-5-(hydroxymethyl)-2-methoxybenzoate
CID 117305103
1-(3-fluoro-2-methoxy-5-nitrophenyl)ethanone
CID 117303485
3-amino-1-(5-ethyl-3-fluoro-2-methoxyphenyl)propan-1-one
CID 117323328
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
methyl 5-(cyanomethyl)-3-fluoro-2-methoxybenzoate
CID 117319076
5-(3-carboxypropyl)-3-fluoro-2-methoxybenzoic acid
CID 117393487
[2,6-difluoro-4-(methoxymethyl)phenyl]methanol
CID 130130923
1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359832
1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone
CID 84786410

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone (CID 83885726) is 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone is COCc1cc(F)c(OC)c(C(C)=O)c1.
What is the InChIKey of 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone?
The InChIKey is RMWFQPQYQJBCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-7(13)9-4-8(6-14-2)5-10(12)11(9)15-3/h4-5H,6H2,1-3H3.
What are the key properties of 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone?
1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone has a molecular weight of 212.22 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone is sourced from PubChem (CID 83885726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).