ethoxy-(4-methylphenyl)-oxophosphanium

C9H12O2P+ — CID 13339000

IUPACethoxy-(4-methylphenyl)-oxophosphanium
SMILESCCO[P+](=O)c1ccc(C)cc1
InChIInChI=1S/C9H12O2P/c1-3-11-12(10)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3/q+1
InChIKeyIJHAJBVPNIGGJP-UHFFFAOYSA-N
MW183.17 g/mol
LogP2.40
Rot. Bonds3

About ethoxy-(4-methylphenyl)-oxophosphanium

ethoxy-(4-methylphenyl)-oxophosphanium (PubChem CID 13339000) has the molecular formula C9H12O2P+ and a molecular weight of 183.17 g/mol. Its IUPAC name is ethoxy-(4-methylphenyl)-oxophosphanium.

Molecular Properties

Compound Nameethoxy-(4-methylphenyl)-oxophosphanium
PubChem CID13339000
Molecular FormulaC9H12O2P+
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Nameethoxy-(4-methylphenyl)-oxophosphanium
SMILESCCO[P+](=O)c1ccc(C)cc1
InChIInChI=1S/C9H12O2P/c1-3-11-12(10)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3/q+1
InChIKeyIJHAJBVPNIGGJP-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-(4-methylphenyl)-oxophosphanium?
The IUPAC name of ethoxy-(4-methylphenyl)-oxophosphanium (CID 13339000) is ethoxy-(4-methylphenyl)-oxophosphanium.
What is the SMILES notation for ethoxy-(4-methylphenyl)-oxophosphanium?
The canonical SMILES for ethoxy-(4-methylphenyl)-oxophosphanium is CCO[P+](=O)c1ccc(C)cc1.
What is the InChIKey of ethoxy-(4-methylphenyl)-oxophosphanium?
The InChIKey is IJHAJBVPNIGGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2P/c1-3-11-12(10)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3/q+1.
What are the key properties of ethoxy-(4-methylphenyl)-oxophosphanium?
ethoxy-(4-methylphenyl)-oxophosphanium has a molecular weight of 183.17 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(4-methylphenyl)-oxophosphanium is sourced from PubChem (CID 13339000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).