oxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium

C10H12OP+ — CID 152506957

IUPACoxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium
SMILESCc1ccc(C)c(C=[P+]=O)c1C
InChIInChI=1S/C10H12OP/c1-7-4-5-8(2)10(6-12-11)9(7)3/h4-6H,1-3H3/q+1
InChIKeyBKPOISUBEAOEDJ-UHFFFAOYSA-N
MW179.18 g/mol
LogP3.05
Rot. Bonds1

About oxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium

oxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium (PubChem CID 152506957) has the molecular formula C10H12OP+ and a molecular weight of 179.18 g/mol. Its IUPAC name is oxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium.

Molecular Properties

Compound Nameoxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium
PubChem CID152506957
Molecular FormulaC10H12OP+
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Nameoxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium
SMILESCc1ccc(C)c(C=[P+]=O)c1C
InChIInChI=1S/C10H12OP/c1-7-4-5-8(2)10(6-12-11)9(7)3/h4-6H,1-3H3/q+1
InChIKeyBKPOISUBEAOEDJ-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 53.05
H-Bond Donors ≤ 50
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 oxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium?
The IUPAC name of oxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium (CID 152506957) is oxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium.
What is the SMILES notation for oxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium?
The canonical SMILES for oxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium is Cc1ccc(C)c(C=[P+]=O)c1C.
What is the InChIKey of oxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium?
The InChIKey is BKPOISUBEAOEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OP/c1-7-4-5-8(2)10(6-12-11)9(7)3/h4-6H,1-3H3/q+1.
What are the key properties of oxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium?
oxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium has a molecular weight of 179.18 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-[(2,3,6-trimethylphenyl)methylidene]phosphanium is sourced from PubChem (CID 152506957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).