3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid

C15H14O5 — CID 71744426

IUPAC3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1O)c1ccc(O)cc1
InChIInChI=1S/C15H14O5/c16-11-4-1-9(2-5-11)13(15(19)20)7-10-3-6-12(17)8-14(10)18/h1-6,8,13,16-18H,7H2,(H,19,20)
InChIKeyZWSZGLSUFUKLCL-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.21
Rot. Bonds4

About 3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid

3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid (PubChem CID 71744426) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
PubChem CID71744426
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1O)c1ccc(O)cc1
InChIInChI=1S/C15H14O5/c16-11-4-1-9(2-5-11)13(15(19)20)7-10-3-6-12(17)8-14(10)18/h1-6,8,13,16-18H,7H2,(H,19,20)
InChIKeyZWSZGLSUFUKLCL-UHFFFAOYSA-N
XLogP2.21
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22680594
4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol
CID 78166649
3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83953187
3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954988
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
CID 84752972
CID 172851102
CID 172851102
3-aminooxy-2-(4-hydroxyphenyl)propanoic acid
CID 105450460
3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid
CID 79435899
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
sodium (2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoate
CID 170902484
3-(2-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954503

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid (CID 71744426) is 3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid is O=C(O)C(Cc1ccc(O)cc1O)c1ccc(O)cc1.
What is the InChIKey of 3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
The InChIKey is ZWSZGLSUFUKLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c16-11-4-1-9(2-5-11)13(15(19)20)7-10-3-6-12(17)8-14(10)18/h1-6,8,13,16-18H,7H2,(H,19,20).
What are the key properties of 3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid?
3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid has a molecular weight of 274.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 71744426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).