2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid

C11H10ClFO4 — CID 81045571

IUPAC2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
SMILESCc1cc(C(=O)COCC(=O)O)c(Cl)cc1F
InChIInChI=1S/C11H10ClFO4/c1-6-2-7(8(12)3-9(6)13)10(14)4-17-5-11(15)16/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyCVEYTRPQEWYDKN-UHFFFAOYSA-N
MW260.65 g/mol
LogP2.07
Rot. Bonds5

About 2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid

2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid (PubChem CID 81045571) has the molecular formula C11H10ClFO4 and a molecular weight of 260.65 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
PubChem CID81045571
Molecular FormulaC11H10ClFO4
Molecular Weight260.65 g/mol
Exact Mass260.03
IUPAC Name2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
SMILESCc1cc(C(=O)COCC(=O)O)c(Cl)cc1F
InChIInChI=1S/C11H10ClFO4/c1-6-2-7(8(12)3-9(6)13)10(14)4-17-5-11(15)16/h2-3H,4-5H2,1H3,(H,15,16)
InChIKeyCVEYTRPQEWYDKN-UHFFFAOYSA-N
XLogP2.07
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,4-difluoro-5-methylphenyl)-2-oxoethoxy]acetic acid
CID 79732569
2-[2-(2,5-dichlorophenyl)-2-oxoethoxy]acetic acid
CID 61329924
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969
1-(2,4-difluoro-5-methylphenyl)-2-ethoxyethanone
CID 115783021
1-(2-chloro-4-fluoro-5-methylphenyl)hexan-1-one
CID 81044873
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 81045028
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone
CID 81046039
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 81045569
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103556008
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81045109
2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]acetic acid
CID 61328943

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid (CID 81045571) is 2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid is Cc1cc(C(=O)COCC(=O)O)c(Cl)cc1F.
What is the InChIKey of 2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid?
The InChIKey is CVEYTRPQEWYDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO4/c1-6-2-7(8(12)3-9(6)13)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-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid?
2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid has a molecular weight of 260.65 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-fluoro-5-methylphenyl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 81045571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).