sodium 15-(4-hydroxyphenyl)pentadecanoate

C21H33NaO3 — CID 23710314

IUPACsodium 15-(4-hydroxyphenyl)pentadecanoate
SMILESO=C([O-])CCCCCCCCCCCCCCc1ccc(O)cc1.[Na+]
InChIInChI=1S/C21H34O3.Na/c22-20-17-15-19(16-18-20)13-11-9-7-5-3-1-2-4-6-8-10-12-14-21(23)24;/h15-18,22H,1-14H2,(H,23,24);/q;+1/p-1
InChIKeyPGGCTNQTIRCJPO-UHFFFAOYSA-M
MW356.48 g/mol
LogP1.76
Rot. Bonds15

About sodium 15-(4-hydroxyphenyl)pentadecanoate

sodium 15-(4-hydroxyphenyl)pentadecanoate (PubChem CID 23710314) has the molecular formula C21H33NaO3 and a molecular weight of 356.48 g/mol. Its IUPAC name is sodium 15-(4-hydroxyphenyl)pentadecanoate.

Molecular Properties

Compound Namesodium 15-(4-hydroxyphenyl)pentadecanoate
PubChem CID23710314
Molecular FormulaC21H33NaO3
Molecular Weight356.48 g/mol
Exact Mass356.23
IUPAC Namesodium 15-(4-hydroxyphenyl)pentadecanoate
SMILESO=C([O-])CCCCCCCCCCCCCCc1ccc(O)cc1.[Na+]
InChIInChI=1S/C21H34O3.Na/c22-20-17-15-19(16-18-20)13-11-9-7-5-3-1-2-4-6-8-10-12-14-21(23)24;/h15-18,22H,1-14H2,(H,23,24);/q;+1/p-1
InChIKeyPGGCTNQTIRCJPO-UHFFFAOYSA-M
XLogP1.76
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 51.76
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 9-(4-hydroxyphenyl)nonanoate
CID 23710359
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 15-(4-hydroxyphenyl)pentadecanoate?
The IUPAC name of sodium 15-(4-hydroxyphenyl)pentadecanoate (CID 23710314) is sodium 15-(4-hydroxyphenyl)pentadecanoate.
What is the SMILES notation for sodium 15-(4-hydroxyphenyl)pentadecanoate?
The canonical SMILES for sodium 15-(4-hydroxyphenyl)pentadecanoate is O=C([O-])CCCCCCCCCCCCCCc1ccc(O)cc1.[Na+].
What is the InChIKey of sodium 15-(4-hydroxyphenyl)pentadecanoate?
The InChIKey is PGGCTNQTIRCJPO-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H34O3.Na/c22-20-17-15-19(16-18-20)13-11-9-7-5-3-1-2-4-6-8-10-12-14-21(23)24;/h15-18,22H,1-14H2,(H,23,24);/q;+1/p-1.
What are the key properties of sodium 15-(4-hydroxyphenyl)pentadecanoate?
sodium 15-(4-hydroxyphenyl)pentadecanoate has a molecular weight of 356.48 g/mol, XLogP of 1.76, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 15-(4-hydroxyphenyl)pentadecanoate is sourced from PubChem (CID 23710314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).