2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid

C11H11FO5 — CID 61327400

IUPAC2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid
SMILESCOc1ccc(C(=O)COCC(=O)O)c(F)c1
InChIInChI=1S/C11H11FO5/c1-16-7-2-3-8(9(12)4-7)10(13)5-17-6-11(14)15/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyRKNKEPWQSAPEBB-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.12
Rot. Bonds6

About 2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid

2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid (PubChem CID 61327400) has the molecular formula C11H11FO5 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid
PubChem CID61327400
Molecular FormulaC11H11FO5
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid
SMILESCOc1ccc(C(=O)COCC(=O)O)c(F)c1
InChIInChI=1S/C11H11FO5/c1-16-7-2-3-8(9(12)4-7)10(13)5-17-6-11(14)15/h2-4H,5-6H2,1H3,(H,14,15)
InChIKeyRKNKEPWQSAPEBB-UHFFFAOYSA-N
XLogP1.12
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluoro-4-methoxyphenyl)-4-oxobutanoic acid
CID 43561181
1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
CID 169303341
5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 55157298
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
CID 79732569
3-amino-1-(2-fluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 103397131
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(2-fluoro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-one
CID 103024596
1-(2-fluoro-4-methoxyphenyl)-2-propylsulfanylethanone
CID 103395254
2-(2-fluoro-5-methoxyphenoxy)acetic acid
CID 84669223
2-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 78805083

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid (CID 61327400) is 2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid is COc1ccc(C(=O)COCC(=O)O)c(F)c1.
What is the InChIKey of 2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid?
The InChIKey is RKNKEPWQSAPEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO5/c1-16-7-2-3-8(9(12)4-7)10(13)5-17-6-11(14)15/h2-4H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid?
2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid has a molecular weight of 242.20 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61327400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).