2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid

C10H10ClFO4 — CID 117374799

IUPAC2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid
SMILESCOCc1c(F)cc(C(O)C(=O)O)cc1Cl
InChIInChI=1S/C10H10ClFO4/c1-16-4-6-7(11)2-5(3-8(6)12)9(13)10(14)15/h2-3,9,13H,4H2,1H3,(H,14,15)
InChIKeyWOQUJJAPKJYSQH-UHFFFAOYSA-N
MW248.64 g/mol
LogP1.74
Rot. Bonds4

About 2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid

2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 117374799) has the molecular formula C10H10ClFO4 and a molecular weight of 248.64 g/mol. Its IUPAC name is 2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid
PubChem CID117374799
Molecular FormulaC10H10ClFO4
Molecular Weight248.64 g/mol
Exact Mass248.03
IUPAC Name2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid
SMILESCOCc1c(F)cc(C(O)C(=O)O)cc1Cl
InChIInChI=1S/C10H10ClFO4/c1-16-4-6-7(11)2-5(3-8(6)12)9(13)10(14)15/h2-3,9,13H,4H2,1H3,(H,14,15)
InChIKeyWOQUJJAPKJYSQH-UHFFFAOYSA-N
XLogP1.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.64
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propanoic acid
CID 117408979
2-amino-1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]ethanol
CID 117339623
2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117349950
1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337294
3-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]-2-methylpropanoic acid
CID 117446921
2-[1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117434415
2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337279
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117445755
2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid
CID 117302661
N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117313592
2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid
CID 117362007
ethyl 2-(3-chloro-4,5-difluorophenyl)-2-hydroxyacetate
CID 117379961

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid (CID 117374799) is 2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid is COCc1c(F)cc(C(O)C(=O)O)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is WOQUJJAPKJYSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO4/c1-16-4-6-7(11)2-5(3-8(6)12)9(13)10(14)15/h2-3,9,13H,4H2,1H3,(H,14,15).
What are the key properties of 2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid?
2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 248.64 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117374799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).