hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium

C9H12O2P+ — CID 67592764

IUPAChydroxy-oxo-(1-phenylpropan-2-yl)phosphanium
SMILESCC(Cc1ccccc1)[P+](=O)O
InChIInChI=1S/C9H11O2P/c1-8(12(10)11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/p+1
InChIKeyIIFUBMXAPRUWLF-UHFFFAOYSA-O
MW183.17 g/mol
LogP2.35
Rot. Bonds3

About hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium

hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium (PubChem CID 67592764) has the molecular formula C9H12O2P+ and a molecular weight of 183.17 g/mol. Its IUPAC name is hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(1-phenylpropan-2-yl)phosphanium
PubChem CID67592764
Molecular FormulaC9H12O2P+
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Namehydroxy-oxo-(1-phenylpropan-2-yl)phosphanium
SMILESCC(Cc1ccccc1)[P+](=O)O
InChIInChI=1S/C9H11O2P/c1-8(12(10)11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/p+1
InChIKeyIIFUBMXAPRUWLF-UHFFFAOYSA-O
XLogP2.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 52.35
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

1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium
CID 151391700
formic acid;2-methylpropylbenzene
CID 162001374
ethane;2-methylpropylbenzene
CID 162200929
CID 20537348
CID 20537348
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
dimethyl-(2-methyl-3-phenylpropyl)alumane
CID 19598535
oxalic acid;1-phenylpropan-2-ol
CID 162336088
1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride
CID 70071894
(2S)-2-amino-3-phenylpropanoic acid;dihydroxy(oxo)phosphanium
CID 159490168
(2-amino-3-phenylpropyl)-hydroxy-oxophosphanium
CID 15591254

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium?
The IUPAC name of hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium (CID 67592764) is hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium.
What is the SMILES notation for hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium?
The canonical SMILES for hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium is CC(Cc1ccccc1)[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium?
The InChIKey is IIFUBMXAPRUWLF-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11O2P/c1-8(12(10)11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/p+1.
What are the key properties of hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium?
hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium has a molecular weight of 183.17 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(1-phenylpropan-2-yl)phosphanium is sourced from PubChem (CID 67592764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).