2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid

C11H10F2O4 — CID 79732569

IUPAC2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
SMILESCc1cc(C(=O)COCC(=O)O)c(F)cc1F
InChIInChI=1S/C11H10F2O4/c1-6-2-7(9(13)3-8(6)12)10(14)4-17-5-11(15)16/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyCWRAPKXRJNFXSW-UHFFFAOYSA-N
MW244.19 g/mol
LogP1.56
Rot. Bonds5

About 2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid

2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid (PubChem CID 79732569) has the molecular formula C11H10F2O4 and a molecular weight of 244.19 g/mol. Its IUPAC name is 2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
PubChem CID79732569
Molecular FormulaC11H10F2O4
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Name2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
SMILESCc1cc(C(=O)COCC(=O)O)c(F)cc1F
InChIInChI=1S/C11H10F2O4/c1-6-2-7(9(13)3-8(6)12)10(14)4-17-5-11(15)16/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyCWRAPKXRJNFXSW-UHFFFAOYSA-N
XLogP1.56
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
CID 81045571
1-(2,4-difluoro-5-methylphenyl)-2-ethoxyethanone
CID 115783021
1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206753
2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid
CID 61327400
2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]acetic acid
CID 61328943
ethyl 3-(2,4-difluoro-5-methylphenyl)-3-oxopropanoate
CID 156848320
2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]acetic acid
CID 79733291
1-(2,4-difluoro-5-methylphenyl)-2-methylsulfonylethanone
CID 79731711
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966095
2-[2-(2,5-dichlorophenyl)-2-oxoethoxy]acetic acid
CID 61329924
1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 130817073
O-ethyl [2-(2,4-difluoro-5-methylphenyl)-2-oxoethyl]sulfanylmethanethioate
CID 102507259

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid (CID 79732569) is 2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid is Cc1cc(C(=O)COCC(=O)O)c(F)cc1F.
What is the InChIKey of 2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid?
The InChIKey is CWRAPKXRJNFXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O4/c1-6-2-7(9(13)3-8(6)12)10(14)4-17-5-11(15)16/h2-3H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid?
2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid has a molecular weight of 244.19 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 79732569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).