sodium 2-(4-hydroxyphenyl)acetate

C8H7NaO3 — CID 23664575

IUPACsodium 2-(4-hydroxyphenyl)acetate
SMILESO=C([O-])Cc1ccc(O)cc1.[Na+]
InChIInChI=1S/C8H8O3.Na/c9-7-3-1-6(2-4-7)5-8(10)11;/h1-4,9H,5H2,(H,10,11);/q;+1/p-1
InChIKeyHCWPEHRPASEFRL-UHFFFAOYSA-M
MW174.13 g/mol
LogP-3.31
Rot. Bonds2

About sodium 2-(4-hydroxyphenyl)acetate

sodium 2-(4-hydroxyphenyl)acetate (PubChem CID 23664575) has the molecular formula C8H7NaO3 and a molecular weight of 174.13 g/mol. Its IUPAC name is sodium 2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Namesodium 2-(4-hydroxyphenyl)acetate
PubChem CID23664575
Molecular FormulaC8H7NaO3
Molecular Weight174.13 g/mol
Exact Mass174.03
IUPAC Namesodium 2-(4-hydroxyphenyl)acetate
SMILESO=C([O-])Cc1ccc(O)cc1.[Na+]
InChIInChI=1S/C8H8O3.Na/c9-7-3-1-6(2-4-7)5-8(10)11;/h1-4,9H,5H2,(H,10,11);/q;+1/p-1
InChIKeyHCWPEHRPASEFRL-UHFFFAOYSA-M
XLogP-3.31
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-3.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-[4-(hydroxymethyl)phenyl]acetate
CID 139632629
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
benzene;3-(4-hydroxyphenyl)-2-oxopropanoic acid
CID 175418924
2-(4-chlorophenyl)acetate
CID 5460378
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
2-(4-hydroxyphenyl)acetamide;dihydrate
CID 174796457
sodium 15-(4-hydroxyphenyl)pentadecanoate
CID 23710314
sodium 9-(4-hydroxyphenyl)nonanoate
CID 23710359
lithium 2-phenylacetate
CID 19205773
3-[4-(4-hydroxyphenyl)phenyl]propanoate
CID 6947121
[3-(4-hydroxyphenyl)-2-oxopropanoyl]oxy 3-(4-hydroxyphenyl)-2-oxopropaneperoxoate
CID 141270296
potassium 2-(4-nitrophenyl)acetate
CID 15261201

Frequently Asked Questions

What is the IUPAC name of sodium 2-(4-hydroxyphenyl)acetate?
The IUPAC name of sodium 2-(4-hydroxyphenyl)acetate (CID 23664575) is sodium 2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for sodium 2-(4-hydroxyphenyl)acetate?
The canonical SMILES for sodium 2-(4-hydroxyphenyl)acetate is O=C([O-])Cc1ccc(O)cc1.[Na+].
What is the InChIKey of sodium 2-(4-hydroxyphenyl)acetate?
The InChIKey is HCWPEHRPASEFRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8O3.Na/c9-7-3-1-6(2-4-7)5-8(10)11;/h1-4,9H,5H2,(H,10,11);/q;+1/p-1.
What are the key properties of sodium 2-(4-hydroxyphenyl)acetate?
sodium 2-(4-hydroxyphenyl)acetate has a molecular weight of 174.13 g/mol, XLogP of -3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 23664575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).