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

C11H12ClFO4 — CID 18444736

IUPAC2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid
SMILESCCOc1cc(OC)c(Cl)c(CC(=O)O)c1F
InChIInChI=1S/C11H12ClFO4/c1-3-17-8-5-7(16-2)10(12)6(11(8)13)4-9(14)15/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyOOWPUQNREJMNLC-UHFFFAOYSA-N
MW262.66 g/mol
LogP2.51
Rot. Bonds5

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

2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid (PubChem CID 18444736) has the molecular formula C11H12ClFO4 and a molecular weight of 262.66 g/mol. Its IUPAC name is 2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid
PubChem CID18444736
Molecular FormulaC11H12ClFO4
Molecular Weight262.66 g/mol
Exact Mass262.04
IUPAC Name2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid
SMILESCCOc1cc(OC)c(Cl)c(CC(=O)O)c1F
InChIInChI=1S/C11H12ClFO4/c1-3-17-8-5-7(16-2)10(12)6(11(8)13)4-9(14)15/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyOOWPUQNREJMNLC-UHFFFAOYSA-N
XLogP2.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid
CID 18444799
2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84797143
2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
CID 117335777
2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid
CID 59030239
2-(2,5-dichloro-3-methoxyphenyl)acetic acid
CID 54236856
3-chloro-5-ethoxy-4-fluorobenzoic acid
CID 164895505
2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid
CID 171034052
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid
CID 117331962
2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid
CID 117287612
3-(5-chloro-2-ethoxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117462479

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid?
The IUPAC name of 2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid (CID 18444736) is 2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid is CCOc1cc(OC)c(Cl)c(CC(=O)O)c1F.
What is the InChIKey of 2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid?
The InChIKey is OOWPUQNREJMNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO4/c1-3-17-8-5-7(16-2)10(12)6(11(8)13)4-9(14)15/h5H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid?
2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid has a molecular weight of 262.66 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 18444736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).