methoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium

C15H14O3P+ — CID 66589307

IUPACmethoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium
SMILESCO[P+](=O)c1ccccc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H14O3P/c1-11-7-9-12(10-8-11)15(16)13-5-3-4-6-14(13)19(17)18-2/h3-10H,1-2H3/q+1
InChIKeyDCQIVJAKSULTCH-UHFFFAOYSA-N
MW273.25 g/mol
LogP3.24
Rot. Bonds4

About methoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium

methoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium (PubChem CID 66589307) has the molecular formula C15H14O3P+ and a molecular weight of 273.25 g/mol. Its IUPAC name is methoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium.

Molecular Properties

Compound Namemethoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium
PubChem CID66589307
Molecular FormulaC15H14O3P+
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Namemethoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium
SMILESCO[P+](=O)c1ccccc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H14O3P/c1-11-7-9-12(10-8-11)15(16)13-5-3-4-6-14(13)19(17)18-2/h3-10H,1-2H3/q+1
InChIKeyDCQIVJAKSULTCH-UHFFFAOYSA-N
XLogP3.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium?
The IUPAC name of methoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium (CID 66589307) is methoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium.
What is the SMILES notation for methoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium?
The canonical SMILES for methoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium is CO[P+](=O)c1ccccc1C(=O)c1ccc(C)cc1.
What is the InChIKey of methoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium?
The InChIKey is DCQIVJAKSULTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3P/c1-11-7-9-12(10-8-11)15(16)13-5-3-4-6-14(13)19(17)18-2/h3-10H,1-2H3/q+1.
What are the key properties of methoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium?
methoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium has a molecular weight of 273.25 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium is sourced from PubChem (CID 66589307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).