benzyl(octoxy)phosphinic acid

C15H25O3P — CID 57273466

IUPACbenzyl(octoxy)phosphinic acid
SMILESCCCCCCCCOP(=O)(O)Cc1ccccc1
InChIInChI=1S/C15H25O3P/c1-2-3-4-5-6-10-13-18-19(16,17)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,16,17)
InChIKeyGUTMEEDDKZPWLN-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.75
Rot. Bonds10

About benzyl(octoxy)phosphinic acid

benzyl(octoxy)phosphinic acid (PubChem CID 57273466) has the molecular formula C15H25O3P and a molecular weight of 284.34 g/mol. Its IUPAC name is benzyl(octoxy)phosphinic acid.

Molecular Properties

Compound Namebenzyl(octoxy)phosphinic acid
PubChem CID57273466
Molecular FormulaC15H25O3P
Molecular Weight284.34 g/mol
Exact Mass284.15
IUPAC Namebenzyl(octoxy)phosphinic acid
SMILESCCCCCCCCOP(=O)(O)Cc1ccccc1
InChIInChI=1S/C15H25O3P/c1-2-3-4-5-6-10-13-18-19(16,17)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,16,17)
InChIKeyGUTMEEDDKZPWLN-UHFFFAOYSA-N
XLogP4.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.75
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

(3,5-dibenzyl-4-dodecoxyphenyl)methyl-dodecoxyphosphinic acid
CID 54143753
azane;benzyl hexadecyl hydrogen phosphate
CID 174524131
butoxy(2-phenylethyl)phosphinic acid
CID 150976148
alumane;phenyl tetradecyl hydrogen phosphate
CID 173415537
N-benzylhydroxylamine;dioctyl hydrogen phosphate
CID 159438550
benzyl-(4-nonoxybenzoyl)oxyphosphinic acid
CID 139959872
hexyl phenyl hydrogen phosphate
CID 66863526
di(tridecoxy)phosphorylbenzene
CID 87531060
[decoxy(phenyl)phosphoryl]benzene
CID 135066173
benzyl hexadecyl methyl phosphate
CID 57042032
3-[butyl(octoxy)phosphoryl]oxypropylbenzene
CID 91710244
butyl(hexoxy)phosphinic acid
CID 15271220

Frequently Asked Questions

What is the IUPAC name of benzyl(octoxy)phosphinic acid?
The IUPAC name of benzyl(octoxy)phosphinic acid (CID 57273466) is benzyl(octoxy)phosphinic acid.
What is the SMILES notation for benzyl(octoxy)phosphinic acid?
The canonical SMILES for benzyl(octoxy)phosphinic acid is CCCCCCCCOP(=O)(O)Cc1ccccc1.
What is the InChIKey of benzyl(octoxy)phosphinic acid?
The InChIKey is GUTMEEDDKZPWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O3P/c1-2-3-4-5-6-10-13-18-19(16,17)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3,(H,16,17).
What are the key properties of benzyl(octoxy)phosphinic acid?
benzyl(octoxy)phosphinic acid has a molecular weight of 284.34 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(octoxy)phosphinic acid is sourced from PubChem (CID 57273466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).