2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium

C15H24O4P+ — CID 174363647

IUPAC2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium
SMILESCCCO[P+](O)(CC(CCC)C(=O)O)c1ccccc1
InChIInChI=1S/C15H23O4P/c1-3-8-13(15(16)17)12-20(18,19-11-4-2)14-9-6-5-7-10-14/h5-7,9-10,13,18H,3-4,8,11-12H2,1-2H3/p+1
InChIKeyJMVIVNIHSMTWCR-UHFFFAOYSA-O
MW299.33 g/mol
LogP3.08
Rot. Bonds9

About 2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium

2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium (PubChem CID 174363647) has the molecular formula C15H24O4P+ and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium.

Molecular Properties

Compound Name2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium
PubChem CID174363647
Molecular FormulaC15H24O4P+
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium
SMILESCCCO[P+](O)(CC(CCC)C(=O)O)c1ccccc1
InChIInChI=1S/C15H23O4P/c1-3-8-13(15(16)17)12-20(18,19-11-4-2)14-9-6-5-7-10-14/h5-7,9-10,13,18H,3-4,8,11-12H2,1-2H3/p+1
InChIKeyJMVIVNIHSMTWCR-UHFFFAOYSA-O
XLogP3.08
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium?
The IUPAC name of 2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium (CID 174363647) is 2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium.
What is the SMILES notation for 2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium?
The canonical SMILES for 2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium is CCCO[P+](O)(CC(CCC)C(=O)O)c1ccccc1.
What is the InChIKey of 2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium?
The InChIKey is JMVIVNIHSMTWCR-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23O4P/c1-3-8-13(15(16)17)12-20(18,19-11-4-2)14-9-6-5-7-10-14/h5-7,9-10,13,18H,3-4,8,11-12H2,1-2H3/p+1.
What are the key properties of 2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium?
2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium has a molecular weight of 299.33 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxypentyl-hydroxy-phenyl-propoxyphosphanium is sourced from PubChem (CID 174363647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).