sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid

C15H14NaO3+ — CID 54612500

IUPACsodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)c1ccccc1.[Na+]
InChIInChI=1S/C15H14O3.Na/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12;/h1-9,14,16H,10H2,(H,17,18);/q;+1
InChIKeyWBNOTYSIXFXTKF-UHFFFAOYSA-N
MW265.26 g/mol
LogP-0.19
Rot. Bonds4

About sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid

sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid (PubChem CID 54612500) has the molecular formula C15H14NaO3+ and a molecular weight of 265.26 g/mol. Its IUPAC name is sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Namesodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
PubChem CID54612500
Molecular FormulaC15H14NaO3+
Molecular Weight265.26 g/mol
Exact Mass265.08
IUPAC Namesodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)c1ccccc1.[Na+]
InChIInChI=1S/C15H14O3.Na/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12;/h1-9,14,16H,10H2,(H,17,18);/q;+1
InChIKeyWBNOTYSIXFXTKF-UHFFFAOYSA-N
XLogP-0.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,3-diphenylpropanoic acid
CID 737125
3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875
3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83953187
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
(2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid
CID 163124301
4-[(2S)-2-carboxy-2-phenylethyl]-N-hydroxybenzeneamine oxide
CID 163124302
(2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide
CID 97436317
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951930
2-(4-hydroxyphenyl)-3-(4-piperidin-1-ylphenyl)propanoic acid
CID 83953409
3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one
CID 137342713

Frequently Asked Questions

What is the IUPAC name of sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid?
The IUPAC name of sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid (CID 54612500) is sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid.
What is the SMILES notation for sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid?
The canonical SMILES for sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid is O=C(O)C(Cc1ccc(O)cc1)c1ccccc1.[Na+].
What is the InChIKey of sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid?
The InChIKey is WBNOTYSIXFXTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.Na/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12;/h1-9,14,16H,10H2,(H,17,18);/q;+1.
What are the key properties of sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid?
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid has a molecular weight of 265.26 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid is sourced from PubChem (CID 54612500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).