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

C11H13FO5 — CID 117362007

IUPAC2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid
SMILESCOCc1c(F)ccc(C(O)C(=O)O)c1OC
InChIInChI=1S/C11H13FO5/c1-16-5-7-8(12)4-3-6(10(7)17-2)9(13)11(14)15/h3-4,9,13H,5H2,1-2H3,(H,14,15)
InChIKeyJMIARDZCMRKAAX-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.10
Rot. Bonds5

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

2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 117362007) has the molecular formula C11H13FO5 and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid
PubChem CID117362007
Molecular FormulaC11H13FO5
Molecular Weight244.22 g/mol
Exact Mass244.07
IUPAC Name2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid
SMILESCOCc1c(F)ccc(C(O)C(=O)O)c1OC
InChIInChI=1S/C11H13FO5/c1-16-5-7-8(12)4-3-6(10(7)17-2)9(13)11(14)15/h3-4,9,13H,5H2,1-2H3,(H,14,15)
InChIKeyJMIARDZCMRKAAX-UHFFFAOYSA-N
XLogP1.10
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]ethanol
CID 117305501
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341279
2-(4-fluoro-3-formyl-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009462
2-(4-bromo-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117447207
2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117331953
1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol
CID 117290657
2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341280
1-bromo-4-fluoro-2-methoxy-3-(methoxymethyl)benzene
CID 166159524
2-[2-(difluoromethoxy)-4-fluoro-3-methylphenyl]-2-hydroxyacetic acid
CID 171026342
2-(5-bromo-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117475568
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid (CID 117362007) is 2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid is COCc1c(F)ccc(C(O)C(=O)O)c1OC.
What is the InChIKey of 2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is JMIARDZCMRKAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO5/c1-16-5-7-8(12)4-3-6(10(7)17-2)9(13)11(14)15/h3-4,9,13H,5H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid?
2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 244.22 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117362007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).