(4-chlorobenzoyl)-trihydroxyphosphanium

C7H7ClO4P+ — CID 56622111

IUPAC(4-chlorobenzoyl)-trihydroxyphosphanium
SMILESO=C(c1ccc(Cl)cc1)[P+](O)(O)O
InChIInChI=1S/C7H7ClO4P/c8-6-3-1-5(2-4-6)7(9)13(10,11)12/h1-4,10-12H/q+1
InChIKeyIRSCSRUOXSJHFC-UHFFFAOYSA-N
MW221.56 g/mol
LogP1.22
Rot. Bonds2

About (4-chlorobenzoyl)-trihydroxyphosphanium

(4-chlorobenzoyl)-trihydroxyphosphanium (PubChem CID 56622111) has the molecular formula C7H7ClO4P+ and a molecular weight of 221.56 g/mol. Its IUPAC name is (4-chlorobenzoyl)-trihydroxyphosphanium.

Molecular Properties

Compound Name(4-chlorobenzoyl)-trihydroxyphosphanium
PubChem CID56622111
Molecular FormulaC7H7ClO4P+
Molecular Weight221.56 g/mol
Exact Mass220.98
IUPAC Name(4-chlorobenzoyl)-trihydroxyphosphanium
SMILESO=C(c1ccc(Cl)cc1)[P+](O)(O)O
InChIInChI=1S/C7H7ClO4P/c8-6-3-1-5(2-4-6)7(9)13(10,11)12/h1-4,10-12H/q+1
InChIKeyIRSCSRUOXSJHFC-UHFFFAOYSA-N
XLogP1.22
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.56
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dibromo-1,4-bis(4-chlorophenyl)butane-1,4-dione
CID 12544461
4-chloro(13C)benzoic acid
CID 66995527
4-chloro-N-hydroxybenzamide
CID 587178
2-(4-chlorophenyl)-2-oxoacetate
CID 18626556
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
1-(4-chlorophenyl)-3,3-bis(methylsulfanyl)propane-1,2-dione
CID 14895408
3-(4-chlorophenyl)-2-methyl-3-oxopropanal
CID 175484761
1-(4-chlorophenyl)-3-hydroxy-3-iodopropan-1-one
CID 134357964
(2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone
CID 93494356
4-(4-chlorophenyl)benzoyl iodide
CID 90184448
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179

Frequently Asked Questions

What is the IUPAC name of (4-chlorobenzoyl)-trihydroxyphosphanium?
The IUPAC name of (4-chlorobenzoyl)-trihydroxyphosphanium (CID 56622111) is (4-chlorobenzoyl)-trihydroxyphosphanium.
What is the SMILES notation for (4-chlorobenzoyl)-trihydroxyphosphanium?
The canonical SMILES for (4-chlorobenzoyl)-trihydroxyphosphanium is O=C(c1ccc(Cl)cc1)[P+](O)(O)O.
What is the InChIKey of (4-chlorobenzoyl)-trihydroxyphosphanium?
The InChIKey is IRSCSRUOXSJHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO4P/c8-6-3-1-5(2-4-6)7(9)13(10,11)12/h1-4,10-12H/q+1.
What are the key properties of (4-chlorobenzoyl)-trihydroxyphosphanium?
(4-chlorobenzoyl)-trihydroxyphosphanium has a molecular weight of 221.56 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorobenzoyl)-trihydroxyphosphanium is sourced from PubChem (CID 56622111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).