2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid

C10H10ClFO3 — CID 24769571

IUPAC2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid
SMILESO=C(O)COCCc1ccc(F)cc1Cl
InChIInChI=1S/C10H10ClFO3/c11-9-5-8(12)2-1-7(9)3-4-15-6-10(13)14/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyOLUZBVKIHZZWNO-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.12
Rot. Bonds5

About 2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid

2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid (PubChem CID 24769571) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid
PubChem CID24769571
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Name2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid
SMILESO=C(O)COCCc1ccc(F)cc1Cl
InChIInChI=1S/C10H10ClFO3/c11-9-5-8(12)2-1-7(9)3-4-15-6-10(13)14/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyOLUZBVKIHZZWNO-UHFFFAOYSA-N
XLogP2.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.12
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-chloro-5-fluorophenyl)methoxy]acetic acid
CID 102615107
2-[2-(8-chloroquinoxalin-5-yl)ethoxy]acetic acid
CID 174461558
1-(2-chloro-4-fluorophenyl)-4-methylpentan-3-one
CID 43175852
4-(2-chloro-4-fluorophenyl)-1-sulfanylbutan-2-one
CID 58139151
3-[2-(2,5-difluorophenyl)ethoxy]propanoic acid
CID 94768590
2-[2-[(2-chloro-4-fluorophenyl)methoxy]ethyl]aniline
CID 102902199
1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one
CID 62622233
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463026
1-(2-chloro-5-fluorophenyl)-3-propoxypropan-2-one
CID 102617636
2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid
CID 176516224
1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid (CID 24769571) is 2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid is O=C(O)COCCc1ccc(F)cc1Cl.
What is the InChIKey of 2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid?
The InChIKey is OLUZBVKIHZZWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c11-9-5-8(12)2-1-7(9)3-4-15-6-10(13)14/h1-2,5H,3-4,6H2,(H,13,14).
What are the key properties of 2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid?
2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid has a molecular weight of 232.64 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid is sourced from PubChem (CID 24769571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).