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

C11H12F2O4 — CID 79733291

IUPAC2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]acetic acid
SMILESCc1cc(C(O)COCC(=O)O)c(F)cc1F
InChIInChI=1S/C11H12F2O4/c1-6-2-7(9(13)3-8(6)12)10(14)4-17-5-11(15)16/h2-3,10,14H,4-5H2,1H3,(H,15,16)
InChIKeyYZECCZLUMMQXII-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.41
Rot. Bonds5

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

2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]acetic acid (PubChem CID 79733291) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]acetic acid
PubChem CID79733291
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Name2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]acetic acid
SMILESCc1cc(C(O)COCC(=O)O)c(F)cc1F
InChIInChI=1S/C11H12F2O4/c1-6-2-7(9(13)3-8(6)12)10(14)4-17-5-11(15)16/h2-3,10,14H,4-5H2,1H3,(H,15,16)
InChIKeyYZECCZLUMMQXII-UHFFFAOYSA-N
XLogP1.41
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]acetic acid?
The IUPAC name of 2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]acetic acid (CID 79733291) is 2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]acetic acid?
The canonical SMILES for 2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]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-hydroxyethoxy]acetic acid?
The InChIKey is YZECCZLUMMQXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O4/c1-6-2-7(9(13)3-8(6)12)10(14)4-17-5-11(15)16/h2-3,10,14H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]acetic acid?
2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]acetic acid has a molecular weight of 246.21 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 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-hydroxyethoxy]acetic acid is sourced from PubChem (CID 79733291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).