pentanoyloxy(phenyl)phosphinic acid

C11H15O4P — CID 174749674

IUPACpentanoyloxy(phenyl)phosphinic acid
SMILESCCCCC(=O)OP(=O)(O)c1ccccc1
InChIInChI=1S/C11H15O4P/c1-2-3-9-11(12)15-16(13,14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,14)
InChIKeyZTNYZAWUTITEIC-UHFFFAOYSA-N
MW242.21 g/mol
LogP2.23
Rot. Bonds5

About pentanoyloxy(phenyl)phosphinic acid

pentanoyloxy(phenyl)phosphinic acid (PubChem CID 174749674) has the molecular formula C11H15O4P and a molecular weight of 242.21 g/mol. Its IUPAC name is pentanoyloxy(phenyl)phosphinic acid.

Molecular Properties

Compound Namepentanoyloxy(phenyl)phosphinic acid
PubChem CID174749674
Molecular FormulaC11H15O4P
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Namepentanoyloxy(phenyl)phosphinic acid
SMILESCCCCC(=O)OP(=O)(O)c1ccccc1
InChIInChI=1S/C11H15O4P/c1-2-3-9-11(12)15-16(13,14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,14)
InChIKeyZTNYZAWUTITEIC-UHFFFAOYSA-N
XLogP2.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethoxycarbonyloxy(phenyl)phosphinic acid
CID 141287038
[hydroxy(phenoxy)phosphoryl] octadecanoate
CID 174873653
[2-(pentanoyloxymethyl)phenyl]methyl pentanoate
CID 122421006
[(2S)-2-aminopropanoyl]oxy-phenylphosphinic acid
CID 174823830
pentanoyl phosphate
CID 149253052
[hydroxy(phenoxy)phosphoryl] octadec-9-enoate
CID 67107887
2-hexyldodecoxy(phenyl)phosphinic acid
CID 10223298
2-ethylhexoxy(phenyl)phosphinic acid
CID 14299722
[hydroxy(octadecanoyloxy)phosphoryl] octadecanoate
CID 50913067
[(Z)-octadec-9-enoxy]-phenylphosphinic acid
CID 175578268
(2-pentanoyloxyphenyl) hexanoate
CID 90024108
[hexadecanoyloxy(diphenyl)stannyl] hexadecanoate
CID 140944870

Frequently Asked Questions

What is the IUPAC name of pentanoyloxy(phenyl)phosphinic acid?
The IUPAC name of pentanoyloxy(phenyl)phosphinic acid (CID 174749674) is pentanoyloxy(phenyl)phosphinic acid.
What is the SMILES notation for pentanoyloxy(phenyl)phosphinic acid?
The canonical SMILES for pentanoyloxy(phenyl)phosphinic acid is CCCCC(=O)OP(=O)(O)c1ccccc1.
What is the InChIKey of pentanoyloxy(phenyl)phosphinic acid?
The InChIKey is ZTNYZAWUTITEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O4P/c1-2-3-9-11(12)15-16(13,14)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,14).
What are the key properties of pentanoyloxy(phenyl)phosphinic acid?
pentanoyloxy(phenyl)phosphinic acid has a molecular weight of 242.21 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentanoyloxy(phenyl)phosphinic acid is sourced from PubChem (CID 174749674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).