2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid

C12H15FO3 — CID 65296765

IUPAC2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid
SMILESCc1cc(CCOCC(=O)O)cc(C)c1F
InChIInChI=1S/C12H15FO3/c1-8-5-10(6-9(2)12(8)13)3-4-16-7-11(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyRUCRXDOPFMGVLO-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.09
Rot. Bonds5

About 2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid

2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid (PubChem CID 65296765) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid
PubChem CID65296765
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid
SMILESCc1cc(CCOCC(=O)O)cc(C)c1F
InChIInChI=1S/C12H15FO3/c1-8-5-10(6-9(2)12(8)13)3-4-16-7-11(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyRUCRXDOPFMGVLO-UHFFFAOYSA-N
XLogP2.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.09
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-methylphenyl)ethoxy]acetic acid
CID 79017010
2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid
CID 117287612
N-[2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]ethyl]-2-methylpropan-2-amine
CID 65304697
3-(3-bromo-4-fluoro-5-methylphenyl)propanoic acid
CID 84710392
2-[2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]ethoxy]acetic acid
CID 89482793
4-(3-bromo-4-fluoro-5-methylphenyl)butanoic acid
CID 117439547
2-[2-[(2,6-difluoro-3-methylbenzoyl)amino]ethoxy]acetic acid
CID 82815436
2-[2-(2-chloro-4-fluorophenyl)ethoxy]acetic acid
CID 24769571
2-[2-(4-bromo-5-methylthiophen-2-yl)ethoxy]acetic acid
CID 102828899
O-[2-(4-fluoro-3-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288456
2-[2-(5-methyl-1H-imidazol-4-yl)ethoxy]acetic acid
CID 19766364
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605544

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid (CID 65296765) is 2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid is Cc1cc(CCOCC(=O)O)cc(C)c1F.
What is the InChIKey of 2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid?
The InChIKey is RUCRXDOPFMGVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-8-5-10(6-9(2)12(8)13)3-4-16-7-11(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid?
2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid has a molecular weight of 226.25 g/mol, XLogP of 2.09, 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-3,5-dimethylphenyl)ethoxy]acetic acid is sourced from PubChem (CID 65296765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).