1-formamidopentyl(phenoxy)phosphinic acid

C12H18NO4P — CID 100946120

IUPAC1-formamidopentyl(phenoxy)phosphinic acid
SMILESCCCCC(NC=O)P(=O)(O)Oc1ccccc1
InChIInChI=1S/C12H18NO4P/c1-2-3-9-12(13-10-14)18(15,16)17-11-7-5-4-6-8-11/h4-8,10,12H,2-3,9H2,1H3,(H,13,14)(H,15,16)
InChIKeyBQBYYLDRKGCNKE-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.51
Rot. Bonds8

About 1-formamidopentyl(phenoxy)phosphinic acid

1-formamidopentyl(phenoxy)phosphinic acid (PubChem CID 100946120) has the molecular formula C12H18NO4P and a molecular weight of 271.25 g/mol. Its IUPAC name is 1-formamidopentyl(phenoxy)phosphinic acid.

Molecular Properties

Compound Name1-formamidopentyl(phenoxy)phosphinic acid
PubChem CID100946120
Molecular FormulaC12H18NO4P
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name1-formamidopentyl(phenoxy)phosphinic acid
SMILESCCCCC(NC=O)P(=O)(O)Oc1ccccc1
InChIInChI=1S/C12H18NO4P/c1-2-3-9-12(13-10-14)18(15,16)17-11-7-5-4-6-8-11/h4-8,10,12H,2-3,9H2,1H3,(H,13,14)(H,15,16)
InChIKeyBQBYYLDRKGCNKE-UHFFFAOYSA-N
XLogP2.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexyl diphenyl phosphate;phosphoric acid
CID 172820434
N-[4-(phenoxymethyl)octan-3-yl]formamide
CID 174780944
dihexan-2-yl phenyl phosphate
CID 68798686
phenoxy(undecyl)phosphinic acid
CID 87383274
1-phenoxypentadecylphosphonic acid
CID 118692933
diphenyl hydrogen phosphate;hept-2-ene
CID 160671397
hexyl phenyl hydrogen phosphate
CID 66863526
N-(2-ethyl-1-phenylhexyl)formamide
CID 138546224
alumane;phenyl tetradecyl hydrogen phosphate
CID 173415537
[4-(4-butylphenyl)phenyl]-phenoxyphosphinic acid
CID 141245968
[butyl(propyl)phosphoryl]oxybenzene
CID 23081695
but-1-enyl(phenoxy)phosphinic acid
CID 139802043

Frequently Asked Questions

What is the IUPAC name of 1-formamidopentyl(phenoxy)phosphinic acid?
The IUPAC name of 1-formamidopentyl(phenoxy)phosphinic acid (CID 100946120) is 1-formamidopentyl(phenoxy)phosphinic acid.
What is the SMILES notation for 1-formamidopentyl(phenoxy)phosphinic acid?
The canonical SMILES for 1-formamidopentyl(phenoxy)phosphinic acid is CCCCC(NC=O)P(=O)(O)Oc1ccccc1.
What is the InChIKey of 1-formamidopentyl(phenoxy)phosphinic acid?
The InChIKey is BQBYYLDRKGCNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO4P/c1-2-3-9-12(13-10-14)18(15,16)17-11-7-5-4-6-8-11/h4-8,10,12H,2-3,9H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-formamidopentyl(phenoxy)phosphinic acid?
1-formamidopentyl(phenoxy)phosphinic acid has a molecular weight of 271.25 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formamidopentyl(phenoxy)phosphinic acid is sourced from PubChem (CID 100946120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).