2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid

C9H8ClFO4 — CID 84797143

IUPAC2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOc1cc(Cl)c(O)c(CC(=O)O)c1F
InChIInChI=1S/C9H8ClFO4/c1-15-6-3-5(10)9(14)4(8(6)11)2-7(12)13/h3,14H,2H2,1H3,(H,12,13)
InChIKeyPJHRBWPXKIWKPT-UHFFFAOYSA-N
MW234.61 g/mol
LogP1.82
Rot. Bonds3

About 2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid

2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid (PubChem CID 84797143) has the molecular formula C9H8ClFO4 and a molecular weight of 234.61 g/mol. Its IUPAC name is 2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid
PubChem CID84797143
Molecular FormulaC9H8ClFO4
Molecular Weight234.61 g/mol
Exact Mass234.01
IUPAC Name2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOc1cc(Cl)c(O)c(CC(=O)O)c1F
InChIInChI=1S/C9H8ClFO4/c1-15-6-3-5(10)9(14)4(8(6)11)2-7(12)13/h3,14H,2H2,1H3,(H,12,13)
InChIKeyPJHRBWPXKIWKPT-UHFFFAOYSA-N
XLogP1.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.61
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol
CID 84778833
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid
CID 18444736
2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid
CID 18444799
2-amino-1-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)ethanone
CID 84796525
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid
CID 117331962
2-(2-chloro-4-methoxy-5-nitrophenyl)acetic acid
CID 171002675
2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
CID 117335777
2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid
CID 171034052
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid
CID 117424974
3-(2,4-difluoro-3-hydroxy-5-methoxyphenyl)propanoic acid
CID 117335780

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid?
The IUPAC name of 2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid (CID 84797143) is 2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid is COc1cc(Cl)c(O)c(CC(=O)O)c1F.
What is the InChIKey of 2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid?
The InChIKey is PJHRBWPXKIWKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO4/c1-15-6-3-5(10)9(14)4(8(6)11)2-7(12)13/h3,14H,2H2,1H3,(H,12,13).
What are the key properties of 2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid?
2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid has a molecular weight of 234.61 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 84797143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).