diphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium

C22H22O2P+ — CID 102464972

IUPACdiphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium
SMILESCC(C)OC(=O)c1ccccc1[PH+](c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21O2P/c1-17(2)24-22(23)20-15-9-10-16-21(20)25(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17H,1-2H3/p+1
InChIKeyPRESDKNMZJPMLL-UHFFFAOYSA-O
MW349.39 g/mol
LogP3.74
Rot. Bonds5

About diphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium

diphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium (PubChem CID 102464972) has the molecular formula C22H22O2P+ and a molecular weight of 349.39 g/mol. Its IUPAC name is diphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium.

Molecular Properties

Compound Namediphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium
PubChem CID102464972
Molecular FormulaC22H22O2P+
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Namediphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium
SMILESCC(C)OC(=O)c1ccccc1[PH+](c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21O2P/c1-17(2)24-22(23)20-15-9-10-16-21(20)25(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17H,1-2H3/p+1
InChIKeyPRESDKNMZJPMLL-UHFFFAOYSA-O
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate
CID 66977286
propan-2-yl 2-(2-phenylpropan-2-yl)benzoate
CID 175400116
bis(2-propan-2-yloxycarbonylphenyl) (E)-but-2-enedioate
CID 175019361
propan-2-yl 2-prop-2-enoylperoxycarbonylbenzoate
CID 18506015
dipropan-2-yl pyridine-2,3-dicarboxylate
CID 14745930
propan-2-yl 2-hydroxy-5-(2-hydroxybenzoyl)benzoate
CID 12008335
propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate
CID 141433722
propan-2-yl 2-[2-(triamino-λ4-sulfanyl)ethyl]benzoate
CID 163585949
propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate
CID 121229095
2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
CID 20750066
dipropan-2-yl perylene-3,9-dicarboxylate
CID 86028819
propan-2-yl 2-(dimethylsulfamoylamino)benzoate
CID 133062998

Frequently Asked Questions

What is the IUPAC name of diphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium?
The IUPAC name of diphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium (CID 102464972) is diphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium.
What is the SMILES notation for diphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium?
The canonical SMILES for diphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium is CC(C)OC(=O)c1ccccc1[PH+](c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium?
The InChIKey is PRESDKNMZJPMLL-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H21O2P/c1-17(2)24-22(23)20-15-9-10-16-21(20)25(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17H,1-2H3/p+1.
What are the key properties of diphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium?
diphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium has a molecular weight of 349.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium is sourced from PubChem (CID 102464972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).