2-benzyl-3-(2-chlorophenoxy)propanoic acid

C16H15ClO3 — CID 117241638

IUPAC2-benzyl-3-(2-chlorophenoxy)propanoic acid
SMILESO=C(O)C(COc1ccccc1Cl)Cc1ccccc1
InChIInChI=1S/C16H15ClO3/c17-14-8-4-5-9-15(14)20-11-13(16(18)19)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,18,19)
InChIKeyWJLBXWNHOHLLIZ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.66
Rot. Bonds6

About 2-benzyl-3-(2-chlorophenoxy)propanoic acid

2-benzyl-3-(2-chlorophenoxy)propanoic acid (PubChem CID 117241638) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-benzyl-3-(2-chlorophenoxy)propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-(2-chlorophenoxy)propanoic acid
PubChem CID117241638
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name2-benzyl-3-(2-chlorophenoxy)propanoic acid
SMILESO=C(O)C(COc1ccccc1Cl)Cc1ccccc1
InChIInChI=1S/C16H15ClO3/c17-14-8-4-5-9-15(14)20-11-13(16(18)19)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,18,19)
InChIKeyWJLBXWNHOHLLIZ-UHFFFAOYSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid
CID 142490833
2-acetamido-3-(2-chlorophenoxy)propanoic acid
CID 65443959
2-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119231915
2-[3-(2-chlorophenoxy)propyl]propanedioic acid
CID 174289413
2-benzyl-3-(3-methylphenoxy)propanoic acid
CID 117241645
methyl 2-amino-3-(2-chlorophenoxy)propanoate
CID 86263203
azane;2-benzyl-3-hydroxypropanoic acid
CID 70116076
2-benzyl-3-iodopropanoic acid
CID 1542
(2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide
CID 95158067
3-(4-bromophenyl)-2-(2-chlorophenoxy)propanoic acid
CID 133245431
(2,4,6-trichlorophenyl) 2-benzyl-3-phenylpropanoate
CID 2784853
3-(2-chlorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 118862711

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2-chlorophenoxy)propanoic acid?
The IUPAC name of 2-benzyl-3-(2-chlorophenoxy)propanoic acid (CID 117241638) is 2-benzyl-3-(2-chlorophenoxy)propanoic acid.
What is the SMILES notation for 2-benzyl-3-(2-chlorophenoxy)propanoic acid?
The canonical SMILES for 2-benzyl-3-(2-chlorophenoxy)propanoic acid is O=C(O)C(COc1ccccc1Cl)Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-(2-chlorophenoxy)propanoic acid?
The InChIKey is WJLBXWNHOHLLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c17-14-8-4-5-9-15(14)20-11-13(16(18)19)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,18,19).
What are the key properties of 2-benzyl-3-(2-chlorophenoxy)propanoic acid?
2-benzyl-3-(2-chlorophenoxy)propanoic acid has a molecular weight of 290.75 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2-chlorophenoxy)propanoic acid is sourced from PubChem (CID 117241638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).