sodium 9-(4-hydroxyphenyl)nonanoate

C15H21NaO3 — CID 23710359

IUPACsodium 9-(4-hydroxyphenyl)nonanoate
SMILESO=C([O-])CCCCCCCCc1ccc(O)cc1.[Na+]
InChIInChI=1S/C15H22O3.Na/c16-14-11-9-13(10-12-14)7-5-3-1-2-4-6-8-15(17)18;/h9-12,16H,1-8H2,(H,17,18);/q;+1/p-1
InChIKeyAZDOOMNTXHJLPG-UHFFFAOYSA-M
MW272.32 g/mol
LogP-0.58
Rot. Bonds9

About sodium 9-(4-hydroxyphenyl)nonanoate

sodium 9-(4-hydroxyphenyl)nonanoate (PubChem CID 23710359) has the molecular formula C15H21NaO3 and a molecular weight of 272.32 g/mol. Its IUPAC name is sodium 9-(4-hydroxyphenyl)nonanoate.

Molecular Properties

Compound Namesodium 9-(4-hydroxyphenyl)nonanoate
PubChem CID23710359
Molecular FormulaC15H21NaO3
Molecular Weight272.32 g/mol
Exact Mass272.14
IUPAC Namesodium 9-(4-hydroxyphenyl)nonanoate
SMILESO=C([O-])CCCCCCCCc1ccc(O)cc1.[Na+]
InChIInChI=1S/C15H22O3.Na/c16-14-11-9-13(10-12-14)7-5-3-1-2-4-6-8-15(17)18;/h9-12,16H,1-8H2,(H,17,18);/q;+1/p-1
InChIKeyAZDOOMNTXHJLPG-UHFFFAOYSA-M
XLogP-0.58
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

sodium 15-(4-hydroxyphenyl)pentadecanoate
CID 23710314
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
potassium 15-phenylpentadecanoate
CID 23717018
3-[4-(4-hydroxyphenyl)phenyl]propanoate
CID 6947121
sodium;hydrogen sulfite;4-nonylphenol
CID 174890195
sodium 2-(4-hydroxyphenyl)acetate
CID 23664575
4-(4-iodophenyl)butanoate
CID 41097881
disodium;undecanedioate
CID 15107599
15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
CID 11794613
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
4-(12-hydroxydodecyl)phenol
CID 139809285
lithium 4-phenylbutanoate
CID 50923149

Frequently Asked Questions

What is the IUPAC name of sodium 9-(4-hydroxyphenyl)nonanoate?
The IUPAC name of sodium 9-(4-hydroxyphenyl)nonanoate (CID 23710359) is sodium 9-(4-hydroxyphenyl)nonanoate.
What is the SMILES notation for sodium 9-(4-hydroxyphenyl)nonanoate?
The canonical SMILES for sodium 9-(4-hydroxyphenyl)nonanoate is O=C([O-])CCCCCCCCc1ccc(O)cc1.[Na+].
What is the InChIKey of sodium 9-(4-hydroxyphenyl)nonanoate?
The InChIKey is AZDOOMNTXHJLPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H22O3.Na/c16-14-11-9-13(10-12-14)7-5-3-1-2-4-6-8-15(17)18;/h9-12,16H,1-8H2,(H,17,18);/q;+1/p-1.
What are the key properties of sodium 9-(4-hydroxyphenyl)nonanoate?
sodium 9-(4-hydroxyphenyl)nonanoate has a molecular weight of 272.32 g/mol, XLogP of -0.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 9-(4-hydroxyphenyl)nonanoate is sourced from PubChem (CID 23710359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).