2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid

C11H12F2O4 — CID 18444799

IUPAC2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid
SMILESCCOc1cc(OC)c(F)c(CC(=O)O)c1F
InChIInChI=1S/C11H12F2O4/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)
InChIKeyCYMXLAYOTLDXEJ-UHFFFAOYSA-N
MW246.21 g/mol
LogP2.00
Rot. Bonds5

About 2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid

2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid (PubChem CID 18444799) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid
PubChem CID18444799
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Name2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid
SMILESCCOc1cc(OC)c(F)c(CC(=O)O)c1F
InChIInChI=1S/C11H12F2O4/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)
InChIKeyCYMXLAYOTLDXEJ-UHFFFAOYSA-N
XLogP2.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-ethoxy-6-fluoro-3-methoxyphenyl)acetic acid
CID 18444736
2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
CID 117335777
2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84797143
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid
CID 171034052
2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid
CID 117331962
2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid
CID 117287612
2-[2-(bromomethyl)-4-fluoro-6-methoxyphenyl]acetic acid
CID 171024915
2-[2-(3-ethoxy-4-methoxyphenyl)-5-fluoro-1H-indol-3-yl]acetic acid
CID 3572668
2-(2-chloro-6-ethoxy-4-methylphenyl)acetic acid
CID 59030239
4-(2-ethoxy-4,5-dimethoxyphenyl)-4-oxobutanoic acid
CID 21430095
2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
CID 84810613

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid?
The IUPAC name of 2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid (CID 18444799) is 2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid is CCOc1cc(OC)c(F)c(CC(=O)O)c1F.
What is the InChIKey of 2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid?
The InChIKey is CYMXLAYOTLDXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O4/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-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid?
2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid has a molecular weight of 246.21 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid is sourced from PubChem (CID 18444799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).