2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid

C10H10ClFO3 — CID 107171030

IUPAC2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid
SMILESCc1ccc(OCC(Cl)C(=O)O)cc1F
InChIInChI=1S/C10H10ClFO3/c1-6-2-3-7(4-9(6)12)15-5-8(11)10(13)14/h2-4,8H,5H2,1H3,(H,13,14)
InChIKeyAPOIPSNBZXMGPZ-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.20
Rot. Bonds4

About 2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid

2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid (PubChem CID 107171030) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is 2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid
PubChem CID107171030
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Name2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid
SMILESCc1ccc(OCC(Cl)C(=O)O)cc1F
InChIInChI=1S/C10H10ClFO3/c1-6-2-3-7(4-9(6)12)15-5-8(11)10(13)14/h2-4,8H,5H2,1H3,(H,13,14)
InChIKeyAPOIPSNBZXMGPZ-UHFFFAOYSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107170360
2-chloro-3-(4-methylphenoxy)propanoic acid
CID 22378514
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
3-(3-fluoro-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 107168426
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-(3-fluoro-4-methylphenyl)-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 83953745
2-(3-fluoro-4-methylphenoxy)pentanoic acid
CID 107168408
methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate
CID 107170379
2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
CID 107171377
4-(2-bromo-3,3,3-trifluoropropoxy)-2-fluoro-1-methylbenzene
CID 107169098
2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide
CID 107170404

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid?
The IUPAC name of 2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid (CID 107171030) is 2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid?
The canonical SMILES for 2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid is Cc1ccc(OCC(Cl)C(=O)O)cc1F.
What is the InChIKey of 2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid?
The InChIKey is APOIPSNBZXMGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-6-2-3-7(4-9(6)12)15-5-8(11)10(13)14/h2-4,8H,5H2,1H3,(H,13,14).
What are the key properties of 2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid?
2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid has a molecular weight of 232.64 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid is sourced from PubChem (CID 107171030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).