(3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid

C14H22NO3P — CID 169084708

IUPAC(3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid
SMILESCC(CC(c1ccccc1)P(=O)(O)CC(C)C)=NO
InChIInChI=1S/C14H22NO3P/c1-11(2)10-19(17,18)14(9-12(3)15-16)13-7-5-4-6-8-13/h4-8,11,14,16H,9-10H2,1-3H3,(H,17,18)
InChIKeyILMZJRJQDNTGGY-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.89
Rot. Bonds6

About (3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid

(3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid (PubChem CID 169084708) has the molecular formula C14H22NO3P and a molecular weight of 283.31 g/mol. Its IUPAC name is (3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid.

Molecular Properties

Compound Name(3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid
PubChem CID169084708
Molecular FormulaC14H22NO3P
Molecular Weight283.31 g/mol
Exact Mass283.13
IUPAC Name(3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid
SMILESCC(CC(c1ccccc1)P(=O)(O)CC(C)C)=NO
InChIInChI=1S/C14H22NO3P/c1-11(2)10-19(17,18)14(9-12(3)15-16)13-7-5-4-6-8-13/h4-8,11,14,16H,9-10H2,1-3H3,(H,17,18)
InChIKeyILMZJRJQDNTGGY-UHFFFAOYSA-N
XLogP3.89
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxyimino-1-phenylbutyl)-propan-2-ylphosphinic acid
CID 169084814
butan-2-yl-(3-hydroxyimino-1-phenylbutyl)phosphinic acid
CID 169084802
(3-hydroxyimino-1-phenylpropyl)-pentylphosphinic acid
CID 169084805
(3-chloro-3-oxo-1-phenylpropyl)-methylphosphinic acid
CID 88803558
2-methylpropyl(phenyl)phosphinic acid
CID 793404
(NZ)-N-(1-diphenylphosphorylpropan-2-ylidene)hydroxylamine
CID 102093434
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
(2-chloro-1-phenylethyl)phosphonic acid
CID 172736254
(3-amino-1-phenylpropyl)-ethylphosphinic acid
CID 46216560
ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium
CID 86657313
[(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid
CID 23660289
(3-hydroxyimino-1-phenylpropyl)-phenoxyphosphinic acid
CID 169084697

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid?
The IUPAC name of (3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid (CID 169084708) is (3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid.
What is the SMILES notation for (3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid?
The canonical SMILES for (3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid is CC(CC(c1ccccc1)P(=O)(O)CC(C)C)=NO.
What is the InChIKey of (3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid?
The InChIKey is ILMZJRJQDNTGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO3P/c1-11(2)10-19(17,18)14(9-12(3)15-16)13-7-5-4-6-8-13/h4-8,11,14,16H,9-10H2,1-3H3,(H,17,18).
What are the key properties of (3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid?
(3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid has a molecular weight of 283.31 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyimino-1-phenylbutyl)-(2-methylpropyl)phosphinic acid is sourced from PubChem (CID 169084708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).