chloro-dihydroxy-(4-hydroxyphenyl)phosphanium

C6H7ClO3P+ — CID 159513566

IUPACchloro-dihydroxy-(4-hydroxyphenyl)phosphanium
SMILESOc1ccc([P+](O)(O)Cl)cc1
InChIInChI=1S/C6H6ClO3P/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,9-10H/p+1
InChIKeyTWWYDOMVAWJFSW-UHFFFAOYSA-O
MW193.55 g/mol
LogP1.00
Rot. Bonds1

About chloro-dihydroxy-(4-hydroxyphenyl)phosphanium

chloro-dihydroxy-(4-hydroxyphenyl)phosphanium (PubChem CID 159513566) has the molecular formula C6H7ClO3P+ and a molecular weight of 193.55 g/mol. Its IUPAC name is chloro-dihydroxy-(4-hydroxyphenyl)phosphanium.

Molecular Properties

Compound Namechloro-dihydroxy-(4-hydroxyphenyl)phosphanium
PubChem CID159513566
Molecular FormulaC6H7ClO3P+
Molecular Weight193.55 g/mol
Exact Mass192.98
IUPAC Namechloro-dihydroxy-(4-hydroxyphenyl)phosphanium
SMILESOc1ccc([P+](O)(O)Cl)cc1
InChIInChI=1S/C6H6ClO3P/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,9-10H/p+1
InChIKeyTWWYDOMVAWJFSW-UHFFFAOYSA-O
XLogP1.00
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.55
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze chloro-dihydroxy-(4-hydroxyphenyl)phosphanium 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 chloro-dihydroxy-(4-hydroxyphenyl)phosphanium?
The IUPAC name of chloro-dihydroxy-(4-hydroxyphenyl)phosphanium (CID 159513566) is chloro-dihydroxy-(4-hydroxyphenyl)phosphanium.
What is the SMILES notation for chloro-dihydroxy-(4-hydroxyphenyl)phosphanium?
The canonical SMILES for chloro-dihydroxy-(4-hydroxyphenyl)phosphanium is Oc1ccc([P+](O)(O)Cl)cc1.
What is the InChIKey of chloro-dihydroxy-(4-hydroxyphenyl)phosphanium?
The InChIKey is TWWYDOMVAWJFSW-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H6ClO3P/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,9-10H/p+1.
What are the key properties of chloro-dihydroxy-(4-hydroxyphenyl)phosphanium?
chloro-dihydroxy-(4-hydroxyphenyl)phosphanium has a molecular weight of 193.55 g/mol, XLogP of 1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dihydroxy-(4-hydroxyphenyl)phosphanium is sourced from PubChem (CID 159513566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).