hydroxy-oxo-(2-propylphenyl)phosphanium

C9H12O2P+ — CID 66861810

IUPAChydroxy-oxo-(2-propylphenyl)phosphanium
SMILESCCCc1ccccc1[P+](=O)O
InChIInChI=1S/C9H11O2P/c1-2-5-8-6-3-4-7-9(8)12(10)11/h3-4,6-7H,2,5H2,1H3/p+1
InChIKeyKNAIJNHQFNLIMQ-UHFFFAOYSA-O
MW183.17 g/mol
LogP2.00
Rot. Bonds3

About hydroxy-oxo-(2-propylphenyl)phosphanium

hydroxy-oxo-(2-propylphenyl)phosphanium (PubChem CID 66861810) has the molecular formula C9H12O2P+ and a molecular weight of 183.17 g/mol. Its IUPAC name is hydroxy-oxo-(2-propylphenyl)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(2-propylphenyl)phosphanium
PubChem CID66861810
Molecular FormulaC9H12O2P+
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Namehydroxy-oxo-(2-propylphenyl)phosphanium
SMILESCCCc1ccccc1[P+](=O)O
InChIInChI=1S/C9H11O2P/c1-2-5-8-6-3-4-7-9(8)12(10)11/h3-4,6-7H,2,5H2,1H3/p+1
InChIKeyKNAIJNHQFNLIMQ-UHFFFAOYSA-O
XLogP2.00
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 ≤ 52.00
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

magnesium;[2-(2-carboxyethyl)phenyl]-hydroxy-oxophosphanium;hydride
CID 175003735
2-(2-propylphenyl)acetic acid
CID 46897017
dihydroxy(oxo)phosphanium;1,2-dioctylbenzene
CID 67709665
neodymium(3+);tris((2-nonylphenyl)-oxido-oxophosphanium)
CID 142766456
[2,3-bis(2-methyl-3-pentylphenyl)phenyl]-hydroxy-oxophosphanium
CID 172766229
methoxymethanol;1-methyl-2-propylbenzene
CID 145362481
bis(2-propylphenyl) carbonate
CID 66781525
barium(2+);bis(2-propylbenzoate)
CID 101299930
1-(2-bromoethyl)-2-propylbenzene
CID 70218831
1-bromo-2-propylbenzene;formaldehyde
CID 174375700
1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium
CID 70452209
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(2-propylphenyl)phosphanium?
The IUPAC name of hydroxy-oxo-(2-propylphenyl)phosphanium (CID 66861810) is hydroxy-oxo-(2-propylphenyl)phosphanium.
What is the SMILES notation for hydroxy-oxo-(2-propylphenyl)phosphanium?
The canonical SMILES for hydroxy-oxo-(2-propylphenyl)phosphanium is CCCc1ccccc1[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(2-propylphenyl)phosphanium?
The InChIKey is KNAIJNHQFNLIMQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11O2P/c1-2-5-8-6-3-4-7-9(8)12(10)11/h3-4,6-7H,2,5H2,1H3/p+1.
What are the key properties of hydroxy-oxo-(2-propylphenyl)phosphanium?
hydroxy-oxo-(2-propylphenyl)phosphanium has a molecular weight of 183.17 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(2-propylphenyl)phosphanium is sourced from PubChem (CID 66861810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).