(4-chlorophenyl)methyl-trihydroxyphosphanium

C7H9ClO3P+ — CID 57315316

IUPAC(4-chlorophenyl)methyl-trihydroxyphosphanium
SMILESO[P+](O)(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C7H9ClO3P/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4,9-11H,5H2/q+1
InChIKeyQXYHEEHFJDYCPD-UHFFFAOYSA-N
MW207.57 g/mol
LogP1.58
Rot. Bonds2

About (4-chlorophenyl)methyl-trihydroxyphosphanium

(4-chlorophenyl)methyl-trihydroxyphosphanium (PubChem CID 57315316) has the molecular formula C7H9ClO3P+ and a molecular weight of 207.57 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-trihydroxyphosphanium.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-trihydroxyphosphanium
PubChem CID57315316
Molecular FormulaC7H9ClO3P+
Molecular Weight207.57 g/mol
Exact Mass207.00
IUPAC Name(4-chlorophenyl)methyl-trihydroxyphosphanium
SMILESO[P+](O)(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C7H9ClO3P/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4,9-11H,5H2/q+1
InChIKeyQXYHEEHFJDYCPD-UHFFFAOYSA-N
XLogP1.58
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.57
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
(2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 94905407
2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 63519476
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
2-[(4-chlorophenyl)methyl]butan-1-ol
CID 50898989
2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol
CID 63519306
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
CID 63410107
1-amino-3-(4-chlorophenyl)propan-1-ol
CID 68900643

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-trihydroxyphosphanium?
The IUPAC name of (4-chlorophenyl)methyl-trihydroxyphosphanium (CID 57315316) is (4-chlorophenyl)methyl-trihydroxyphosphanium.
What is the SMILES notation for (4-chlorophenyl)methyl-trihydroxyphosphanium?
The canonical SMILES for (4-chlorophenyl)methyl-trihydroxyphosphanium is O[P+](O)(O)Cc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl-trihydroxyphosphanium?
The InChIKey is QXYHEEHFJDYCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO3P/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4,9-11H,5H2/q+1.
What are the key properties of (4-chlorophenyl)methyl-trihydroxyphosphanium?
(4-chlorophenyl)methyl-trihydroxyphosphanium has a molecular weight of 207.57 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-trihydroxyphosphanium is sourced from PubChem (CID 57315316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).