(2-(18F)fluoro-5-methoxyphenyl)methyl acetate

C10H11FO3 — CID 156599512

IUPAC(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
SMILESCOc1ccc([18F])c(COC(C)=O)c1
InChIInChI=1S/C10H11FO3/c1-7(12)14-6-8-5-9(13-2)3-4-10(8)11/h3-5H,6H2,1-2H3/i11-1
InChIKeyGWGUYLFWDUOUKA-KXMUYVCJSA-N
MW197.20 g/mol
LogP1.90
Rot. Bonds3

About (2-(18F)fluoro-5-methoxyphenyl)methyl acetate

(2-(18F)fluoro-5-methoxyphenyl)methyl acetate (PubChem CID 156599512) has the molecular formula C10H11FO3 and a molecular weight of 197.20 g/mol. Its IUPAC name is (2-(18F)fluoro-5-methoxyphenyl)methyl acetate.

Molecular Properties

Compound Name(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
PubChem CID156599512
Molecular FormulaC10H11FO3
Molecular Weight197.20 g/mol
Exact Mass197.07
IUPAC Name(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
SMILESCOc1ccc([18F])c(COC(C)=O)c1
InChIInChI=1S/C10H11FO3/c1-7(12)14-6-8-5-9(13-2)3-4-10(8)11/h3-5H,6H2,1-2H3/i11-1
InChIKeyGWGUYLFWDUOUKA-KXMUYVCJSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

O-[(2-fluoro-5-methoxyphenyl)methyl]hydroxylamine
CID 83808208
(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143
[3-(acetyloxymethyl)-5-methoxy-2-methylphenyl]methyl acetate
CID 3609489
(5-methoxy-2-nitrophenyl)methyl acetate
CID 70659279
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
(2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69141668
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78978251
(3,4-difluoro-2-methylphenyl)methyl acetate
CID 130139606
1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one
CID 83388472
1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene
CID 130132950
1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide
CID 138619993

Frequently Asked Questions

What is the IUPAC name of (2-(18F)fluoro-5-methoxyphenyl)methyl acetate?
The IUPAC name of (2-(18F)fluoro-5-methoxyphenyl)methyl acetate (CID 156599512) is (2-(18F)fluoro-5-methoxyphenyl)methyl acetate.
What is the SMILES notation for (2-(18F)fluoro-5-methoxyphenyl)methyl acetate?
The canonical SMILES for (2-(18F)fluoro-5-methoxyphenyl)methyl acetate is COc1ccc([18F])c(COC(C)=O)c1.
What is the InChIKey of (2-(18F)fluoro-5-methoxyphenyl)methyl acetate?
The InChIKey is GWGUYLFWDUOUKA-KXMUYVCJSA-N. The full InChI is InChI=1S/C10H11FO3/c1-7(12)14-6-8-5-9(13-2)3-4-10(8)11/h3-5H,6H2,1-2H3/i11-1.
What are the key properties of (2-(18F)fluoro-5-methoxyphenyl)methyl acetate?
(2-(18F)fluoro-5-methoxyphenyl)methyl acetate has a molecular weight of 197.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-(18F)fluoro-5-methoxyphenyl)methyl acetate is sourced from PubChem (CID 156599512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).