2,2-dimethylpropyl(phenoxy)phosphinic acid

C11H17O3P — CID 20835951

IUPAC2,2-dimethylpropyl(phenoxy)phosphinic acid
SMILESCC(C)(C)CP(=O)(O)Oc1ccccc1
InChIInChI=1S/C11H17O3P/c1-11(2,3)9-15(12,13)14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,12,13)
InChIKeyZJEGVTCIVLHMCO-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.30
Rot. Bonds3

About 2,2-dimethylpropyl(phenoxy)phosphinic acid

2,2-dimethylpropyl(phenoxy)phosphinic acid (PubChem CID 20835951) has the molecular formula C11H17O3P and a molecular weight of 228.23 g/mol. Its IUPAC name is 2,2-dimethylpropyl(phenoxy)phosphinic acid.

Molecular Properties

Compound Name2,2-dimethylpropyl(phenoxy)phosphinic acid
PubChem CID20835951
Molecular FormulaC11H17O3P
Molecular Weight228.23 g/mol
Exact Mass228.09
IUPAC Name2,2-dimethylpropyl(phenoxy)phosphinic acid
SMILESCC(C)(C)CP(=O)(O)Oc1ccccc1
InChIInChI=1S/C11H17O3P/c1-11(2,3)9-15(12,13)14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,12,13)
InChIKeyZJEGVTCIVLHMCO-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2,4,4-trimethylpentan-2-yl hydrogen phosphate
CID 20505103
benzyl(phenoxy)phosphinic acid
CID 54071062
tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid
CID 173412594
phenoxy(undecyl)phosphinic acid
CID 87383274
sodium;hydride;phenacyl(phenoxy)phosphinic acid
CID 174747840
phosphoric acid;2,4,4-trimethylpentan-2-yloxybenzene
CID 156565005
diphenyl hydrogen phosphate;dihydrate
CID 21115845
CID 131875092
CID 131875092
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
methyl (2S)-2-[[2,2-dimethylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 176807905
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl(phenoxy)phosphinic acid?
The IUPAC name of 2,2-dimethylpropyl(phenoxy)phosphinic acid (CID 20835951) is 2,2-dimethylpropyl(phenoxy)phosphinic acid.
What is the SMILES notation for 2,2-dimethylpropyl(phenoxy)phosphinic acid?
The canonical SMILES for 2,2-dimethylpropyl(phenoxy)phosphinic acid is CC(C)(C)CP(=O)(O)Oc1ccccc1.
What is the InChIKey of 2,2-dimethylpropyl(phenoxy)phosphinic acid?
The InChIKey is ZJEGVTCIVLHMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O3P/c1-11(2,3)9-15(12,13)14-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethylpropyl(phenoxy)phosphinic acid?
2,2-dimethylpropyl(phenoxy)phosphinic acid has a molecular weight of 228.23 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl(phenoxy)phosphinic acid is sourced from PubChem (CID 20835951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).