phenoxy(undecyl)phosphinic acid

C17H29O3P — CID 87383274

IUPACphenoxy(undecyl)phosphinic acid
SMILESCCCCCCCCCCCP(=O)(O)Oc1ccccc1
InChIInChI=1S/C17H29O3P/c1-2-3-4-5-6-7-8-9-13-16-21(18,19)20-17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3,(H,18,19)
InChIKeyICVSHLIZQPKLGV-UHFFFAOYSA-N
MW312.39 g/mol
LogP5.78
Rot. Bonds12

About phenoxy(undecyl)phosphinic acid

phenoxy(undecyl)phosphinic acid (PubChem CID 87383274) has the molecular formula C17H29O3P and a molecular weight of 312.39 g/mol. Its IUPAC name is phenoxy(undecyl)phosphinic acid.

Molecular Properties

Compound Namephenoxy(undecyl)phosphinic acid
PubChem CID87383274
Molecular FormulaC17H29O3P
Molecular Weight312.39 g/mol
Exact Mass312.19
IUPAC Namephenoxy(undecyl)phosphinic acid
SMILESCCCCCCCCCCCP(=O)(O)Oc1ccccc1
InChIInChI=1S/C17H29O3P/c1-2-3-4-5-6-7-8-9-13-16-21(18,19)20-17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3,(H,18,19)
InChIKeyICVSHLIZQPKLGV-UHFFFAOYSA-N
XLogP5.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.39
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12-hydroxytridecyl(phenoxy)phosphinic acid
CID 11360279
hexyl phenyl hydrogen phosphate
CID 66863526
[hydroxy(phenoxy)phosphoryl] octadecanoate
CID 174873653
alumane;phenyl tetradecyl hydrogen phosphate
CID 173415537
hexyl diphenyl phosphate
CID 13389453
heptyl pentyl phenyl phosphate
CID 21454681
octadecyl phenyl phosphono phosphate
CID 174802974
[butyl(propyl)phosphoryl]oxybenzene
CID 23081695
[(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid
CID 139947168
[hydroxy(phenoxy)phosphoryl] octadec-9-enoate
CID 67107887
[butyl(methoxy)phosphoryl]oxybenzene
CID 125474824
2,2-dimethylpropyl(phenoxy)phosphinic acid
CID 20835951

Frequently Asked Questions

What is the IUPAC name of phenoxy(undecyl)phosphinic acid?
The IUPAC name of phenoxy(undecyl)phosphinic acid (CID 87383274) is phenoxy(undecyl)phosphinic acid.
What is the SMILES notation for phenoxy(undecyl)phosphinic acid?
The canonical SMILES for phenoxy(undecyl)phosphinic acid is CCCCCCCCCCCP(=O)(O)Oc1ccccc1.
What is the InChIKey of phenoxy(undecyl)phosphinic acid?
The InChIKey is ICVSHLIZQPKLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29O3P/c1-2-3-4-5-6-7-8-9-13-16-21(18,19)20-17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3,(H,18,19).
What are the key properties of phenoxy(undecyl)phosphinic acid?
phenoxy(undecyl)phosphinic acid has a molecular weight of 312.39 g/mol, XLogP of 5.78, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxy(undecyl)phosphinic acid is sourced from PubChem (CID 87383274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).