2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid

C17H18O3 — CID 82305907

IUPAC2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid
SMILESCc1ccc(Oc2ccc(C(C)C(=O)O)cc2)c(C)c1
InChIInChI=1S/C17H18O3/c1-11-4-9-16(12(2)10-11)20-15-7-5-14(6-8-15)13(3)17(18)19/h4-10,13H,1-3H3,(H,18,19)
InChIKeyLCHCFQXFHGILEO-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.28
Rot. Bonds4

About 2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid

2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid (PubChem CID 82305907) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid
PubChem CID82305907
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid
SMILESCc1ccc(Oc2ccc(C(C)C(=O)O)cc2)c(C)c1
InChIInChI=1S/C17H18O3/c1-11-4-9-16(12(2)10-11)20-15-7-5-14(6-8-15)13(3)17(18)19/h4-10,13H,1-3H3,(H,18,19)
InChIKeyLCHCFQXFHGILEO-UHFFFAOYSA-N
XLogP4.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2,4-dimethylphenoxy)methyl]phenyl]propanoic acid
CID 105344783
1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
CID 43189138
2-(4-phenoxyphenyl)propanoic acid
CID 527817
2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol
CID 82044821
carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene
CID 91264614
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone
CID 59067571
2-bromo-4-(2,4-dimethylphenoxy)benzoic acid
CID 107282422
(1R)-1-[4-(2,4-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78941481
2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid
CID 12945002
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
(2,4-dimethylphenyl) 2-[4-(2-methylpropyl)phenyl]propanoate
CID 4073405

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid?
The IUPAC name of 2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid (CID 82305907) is 2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid is Cc1ccc(Oc2ccc(C(C)C(=O)O)cc2)c(C)c1.
What is the InChIKey of 2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid?
The InChIKey is LCHCFQXFHGILEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11-4-9-16(12(2)10-11)20-15-7-5-14(6-8-15)13(3)17(18)19/h4-10,13H,1-3H3,(H,18,19).
What are the key properties of 2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid?
2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid is sourced from PubChem (CID 82305907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).