hydroxy-phenyl-di(propan-2-yl)phosphanium

C12H20OP+ — CID 67469476

IUPAChydroxy-phenyl-di(propan-2-yl)phosphanium
SMILESCC(C)[P+](O)(c1ccccc1)C(C)C
InChIInChI=1S/C12H20OP/c1-10(2)14(13,11(3)4)12-8-6-5-7-9-12/h5-11,13H,1-4H3/q+1
InChIKeyXABIRCFQGCHVRZ-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.05
Rot. Bonds3

About hydroxy-phenyl-di(propan-2-yl)phosphanium

hydroxy-phenyl-di(propan-2-yl)phosphanium (PubChem CID 67469476) has the molecular formula C12H20OP+ and a molecular weight of 211.27 g/mol. Its IUPAC name is hydroxy-phenyl-di(propan-2-yl)phosphanium.

Molecular Properties

Compound Namehydroxy-phenyl-di(propan-2-yl)phosphanium
PubChem CID67469476
Molecular FormulaC12H20OP+
Molecular Weight211.27 g/mol
Exact Mass211.12
IUPAC Namehydroxy-phenyl-di(propan-2-yl)phosphanium
SMILESCC(C)[P+](O)(c1ccccc1)C(C)C
InChIInChI=1S/C12H20OP/c1-10(2)14(13,11(3)4)12-8-6-5-7-9-12/h5-11,13H,1-4H3/q+1
InChIKeyXABIRCFQGCHVRZ-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl-diphenyl-propan-2-ylphosphanium
CID 23412999
1-hydroxyethyl(triphenyl)phosphanium chloride
CID 22164733
triphenyl(propan-2-yl)phosphanium hydroxide
CID 18356098
[(2R)-2-hydroxypropyl]-triphenylphosphanium
CID 14895269
(1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol
CID 78951470
bis(hydroxymethyl)-methyl-phenylphosphanium
CID 3061532
(1S)-1-phenylethanol
CID 157125626
manganese(2+);methyl(triphenyl)phosphanium;dibromide
CID 175373163
methoxy-methyl-diphenylphosphanium
CID 23415298
benzene-1,2-diol;propan-2-ol
CID 144664669
CID 155673971
CID 155673971
azane;(1R)-1-phenylethanol
CID 126646564

Frequently Asked Questions

What is the IUPAC name of hydroxy-phenyl-di(propan-2-yl)phosphanium?
The IUPAC name of hydroxy-phenyl-di(propan-2-yl)phosphanium (CID 67469476) is hydroxy-phenyl-di(propan-2-yl)phosphanium.
What is the SMILES notation for hydroxy-phenyl-di(propan-2-yl)phosphanium?
The canonical SMILES for hydroxy-phenyl-di(propan-2-yl)phosphanium is CC(C)[P+](O)(c1ccccc1)C(C)C.
What is the InChIKey of hydroxy-phenyl-di(propan-2-yl)phosphanium?
The InChIKey is XABIRCFQGCHVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OP/c1-10(2)14(13,11(3)4)12-8-6-5-7-9-12/h5-11,13H,1-4H3/q+1.
What are the key properties of hydroxy-phenyl-di(propan-2-yl)phosphanium?
hydroxy-phenyl-di(propan-2-yl)phosphanium has a molecular weight of 211.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-phenyl-di(propan-2-yl)phosphanium is sourced from PubChem (CID 67469476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).