2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid

C11H13FO3 — CID 79017010

IUPAC2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid
SMILESCc1cc(CCOCC(=O)O)ccc1F
InChIInChI=1S/C11H13FO3/c1-8-6-9(2-3-10(8)12)4-5-15-7-11(13)14/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyGUTIUHZQEOPWEC-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.78
Rot. Bonds5

About 2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid

2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid (PubChem CID 79017010) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid
PubChem CID79017010
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid
SMILESCc1cc(CCOCC(=O)O)ccc1F
InChIInChI=1S/C11H13FO3/c1-8-6-9(2-3-10(8)12)4-5-15-7-11(13)14/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyGUTIUHZQEOPWEC-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid
CID 65296765
2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid
CID 89482793
N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine
CID 79736426
2-[(4-fluoro-3-methylphenyl)methyl]propanedioic acid
CID 170895434
1-chloro-4-(4-fluoro-3-methylphenyl)butan-2-one
CID 134085976
4-[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]butanoic acid
CID 115218770
2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid
CID 65063229
2-[2-[(2,6-difluoro-3-methylbenzoyl)amino]ethoxy]acetic acid
CID 82815436
2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83931121
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140036
1-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylurea
CID 115169314
3-chloro-4-(4-fluoro-3-methylphenyl)butanoic acid
CID 82351990

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid (CID 79017010) is 2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid is Cc1cc(CCOCC(=O)O)ccc1F.
What is the InChIKey of 2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid?
The InChIKey is GUTIUHZQEOPWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-8-6-9(2-3-10(8)12)4-5-15-7-11(13)14/h2-3,6H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid?
2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid has a molecular weight of 212.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3-methylphenyl)ethoxy]acetic acid is sourced from PubChem (CID 79017010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).