(4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium

C9H12O2P+ — CID 66861809

IUPAC(4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium
SMILESCCc1ccc([P+](=O)O)c(C)c1
InChIInChI=1S/C9H11O2P/c1-3-8-4-5-9(12(10)11)7(2)6-8/h4-6H,3H2,1-2H3/p+1
InChIKeyJMXFCMLZJRWUDY-UHFFFAOYSA-O
MW183.17 g/mol
LogP1.92
Rot. Bonds2

About (4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium

(4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium (PubChem CID 66861809) has the molecular formula C9H12O2P+ and a molecular weight of 183.17 g/mol. Its IUPAC name is (4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium
PubChem CID66861809
Molecular FormulaC9H12O2P+
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name(4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium
SMILESCCc1ccc([P+](=O)O)c(C)c1
InChIInChI=1S/C9H11O2P/c1-3-8-4-5-9(12(10)11)7(2)6-8/h4-6H,3H2,1-2H3/p+1
InChIKeyJMXFCMLZJRWUDY-UHFFFAOYSA-O
XLogP1.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium?
The IUPAC name of (4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium (CID 66861809) is (4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium.
What is the SMILES notation for (4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium?
The canonical SMILES for (4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium is CCc1ccc([P+](=O)O)c(C)c1.
What is the InChIKey of (4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium?
The InChIKey is JMXFCMLZJRWUDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11O2P/c1-3-8-4-5-9(12(10)11)7(2)6-8/h4-6H,3H2,1-2H3/p+1.
What are the key properties of (4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium?
(4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium has a molecular weight of 183.17 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methylphenyl)-hydroxy-oxophosphanium is sourced from PubChem (CID 66861809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).