hydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium

C13H12O3P+ — CID 70198034

IUPAChydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium
SMILESCOc1ccc(-c2ccc([P+](=O)O)cc2)cc1
InChIInChI=1S/C13H11O3P/c1-16-12-6-2-10(3-7-12)11-4-8-13(9-5-11)17(14)15/h2-9H,1H3/p+1
InChIKeyRHIOFQOPQQSCLS-UHFFFAOYSA-O
MW247.21 g/mol
LogP2.72
Rot. Bonds3

About hydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium

hydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium (PubChem CID 70198034) has the molecular formula C13H12O3P+ and a molecular weight of 247.21 g/mol. Its IUPAC name is hydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium
PubChem CID70198034
Molecular FormulaC13H12O3P+
Molecular Weight247.21 g/mol
Exact Mass247.05
IUPAC Namehydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium
SMILESCOc1ccc(-c2ccc([P+](=O)O)cc2)cc1
InChIInChI=1S/C13H11O3P/c1-16-12-6-2-10(3-7-12)11-4-8-13(9-5-11)17(14)15/h2-9H,1H3/p+1
InChIKeyRHIOFQOPQQSCLS-UHFFFAOYSA-O
XLogP2.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium?
The IUPAC name of hydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium (CID 70198034) is hydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium?
The canonical SMILES for hydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium is COc1ccc(-c2ccc([P+](=O)O)cc2)cc1.
What is the InChIKey of hydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium?
The InChIKey is RHIOFQOPQQSCLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11O3P/c1-16-12-6-2-10(3-7-12)11-4-8-13(9-5-11)17(14)15/h2-9H,1H3/p+1.
What are the key properties of hydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium?
hydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium has a molecular weight of 247.21 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[4-(4-methoxyphenyl)phenyl]-oxophosphanium is sourced from PubChem (CID 70198034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).