12-hydroxytridecyl(phenoxy)phosphinic acid

C19H33O4P — CID 11360279

IUPAC12-hydroxytridecyl(phenoxy)phosphinic acid
SMILESCC(O)CCCCCCCCCCCP(=O)(O)Oc1ccccc1
InChIInChI=1S/C19H33O4P/c1-18(20)14-10-7-5-3-2-4-6-8-13-17-24(21,22)23-19-15-11-9-12-16-19/h9,11-12,15-16,18,20H,2-8,10,13-14,17H2,1H3,(H,21,22)
InChIKeyJHBWJCSTXRFFQQ-UHFFFAOYSA-N
MW356.44 g/mol
LogP5.53
Rot. Bonds14

About 12-hydroxytridecyl(phenoxy)phosphinic acid

12-hydroxytridecyl(phenoxy)phosphinic acid (PubChem CID 11360279) has the molecular formula C19H33O4P and a molecular weight of 356.44 g/mol. Its IUPAC name is 12-hydroxytridecyl(phenoxy)phosphinic acid.

Molecular Properties

Compound Name12-hydroxytridecyl(phenoxy)phosphinic acid
PubChem CID11360279
Molecular FormulaC19H33O4P
Molecular Weight356.44 g/mol
Exact Mass356.21
IUPAC Name12-hydroxytridecyl(phenoxy)phosphinic acid
SMILESCC(O)CCCCCCCCCCCP(=O)(O)Oc1ccccc1
InChIInChI=1S/C19H33O4P/c1-18(20)14-10-7-5-3-2-4-6-8-13-17-24(21,22)23-19-15-11-9-12-16-19/h9,11-12,15-16,18,20H,2-8,10,13-14,17H2,1H3,(H,21,22)
InChIKeyJHBWJCSTXRFFQQ-UHFFFAOYSA-N
XLogP5.53
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.44
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-hydroxytridecyl(phenoxy)phosphinic acid?
The IUPAC name of 12-hydroxytridecyl(phenoxy)phosphinic acid (CID 11360279) is 12-hydroxytridecyl(phenoxy)phosphinic acid.
What is the SMILES notation for 12-hydroxytridecyl(phenoxy)phosphinic acid?
The canonical SMILES for 12-hydroxytridecyl(phenoxy)phosphinic acid is CC(O)CCCCCCCCCCCP(=O)(O)Oc1ccccc1.
What is the InChIKey of 12-hydroxytridecyl(phenoxy)phosphinic acid?
The InChIKey is JHBWJCSTXRFFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33O4P/c1-18(20)14-10-7-5-3-2-4-6-8-13-17-24(21,22)23-19-15-11-9-12-16-19/h9,11-12,15-16,18,20H,2-8,10,13-14,17H2,1H3,(H,21,22).
What are the key properties of 12-hydroxytridecyl(phenoxy)phosphinic acid?
12-hydroxytridecyl(phenoxy)phosphinic acid has a molecular weight of 356.44 g/mol, XLogP of 5.53, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxytridecyl(phenoxy)phosphinic acid is sourced from PubChem (CID 11360279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).