2-hydroxy-2-(4-phenoxyphenyl)propanoic acid

C15H14O4 — CID 10422632

IUPAC2-hydroxy-2-(4-phenoxyphenyl)propanoic acid
SMILESCC(O)(C(=O)O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H14O4/c1-15(18,14(16)17)11-7-9-13(10-8-11)19-12-5-3-2-4-6-12/h2-10,18H,1H3,(H,16,17)
InChIKeyFBRRDGLOFPEXKS-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.77
Rot. Bonds4

About 2-hydroxy-2-(4-phenoxyphenyl)propanoic acid

2-hydroxy-2-(4-phenoxyphenyl)propanoic acid (PubChem CID 10422632) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-hydroxy-2-(4-phenoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(4-phenoxyphenyl)propanoic acid
PubChem CID10422632
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-hydroxy-2-(4-phenoxyphenyl)propanoic acid
SMILESCC(O)(C(=O)O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H14O4/c1-15(18,14(16)17)11-7-9-13(10-8-11)19-12-5-3-2-4-6-12/h2-10,18H,1H3,(H,16,17)
InChIKeyFBRRDGLOFPEXKS-UHFFFAOYSA-N
XLogP2.77
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-phenoxyphenyl)propanoic acid?
The IUPAC name of 2-hydroxy-2-(4-phenoxyphenyl)propanoic acid (CID 10422632) is 2-hydroxy-2-(4-phenoxyphenyl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-(4-phenoxyphenyl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-(4-phenoxyphenyl)propanoic acid is CC(O)(C(=O)O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-2-(4-phenoxyphenyl)propanoic acid?
The InChIKey is FBRRDGLOFPEXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-15(18,14(16)17)11-7-9-13(10-8-11)19-12-5-3-2-4-6-12/h2-10,18H,1H3,(H,16,17).
What are the key properties of 2-hydroxy-2-(4-phenoxyphenyl)propanoic acid?
2-hydroxy-2-(4-phenoxyphenyl)propanoic acid has a molecular weight of 258.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-phenoxyphenyl)propanoic acid is sourced from PubChem (CID 10422632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).