2-(2-diphenylphosphorylphenyl)propan-2-ol

C21H21O2P — CID 12734316

IUPAC2-(2-diphenylphosphorylphenyl)propan-2-ol
SMILESCC(C)(O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21O2P/c1-21(2,22)19-15-9-10-16-20(19)24(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,22H,1-2H3
InChIKeyVKIKCHVXXWZMEK-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.55
Rot. Bonds4

About 2-(2-diphenylphosphorylphenyl)propan-2-ol

2-(2-diphenylphosphorylphenyl)propan-2-ol (PubChem CID 12734316) has the molecular formula C21H21O2P and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(2-diphenylphosphorylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-diphenylphosphorylphenyl)propan-2-ol
PubChem CID12734316
Molecular FormulaC21H21O2P
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name2-(2-diphenylphosphorylphenyl)propan-2-ol
SMILESCC(C)(O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21O2P/c1-21(2,22)19-15-9-10-16-20(19)24(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,22H,1-2H3
InChIKeyVKIKCHVXXWZMEK-UHFFFAOYSA-N
XLogP3.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-diphenylphosphoryl-2-(trifluoromethyl)benzene
CID 5232149
2-diphenylphosphorylphenol
CID 626229
2-(2-diphenylphosphorylphenyl)-4,4-dimethyl-1-phenylpentane-1,3-dione
CID 162416278
N-(2-diphenylphosphorylphenyl)acetamide
CID 71531508
1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane
CID 144799075
2-[tert-butyl(phenyl)phosphoryl]phenol
CID 127258156
diphenylphosphorylbenzene;terbium
CID 86595283
1-(2-diphenylphosphorylphenyl)-2-methylbenzene
CID 15531741
1,2-bis[bis(4-methylphenyl)phosphoryl]benzene
CID 139462616
carbon monoxide;chromium;(2-diphenylphosphorylphenyl)-trimethylsilane
CID 134981051
1-diphenylphosphorylnaphthalene
CID 11023927
1-diphenylphosphoryl-1-phenylethanol
CID 155934602

Frequently Asked Questions

What is the IUPAC name of 2-(2-diphenylphosphorylphenyl)propan-2-ol?
The IUPAC name of 2-(2-diphenylphosphorylphenyl)propan-2-ol (CID 12734316) is 2-(2-diphenylphosphorylphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-diphenylphosphorylphenyl)propan-2-ol?
The canonical SMILES for 2-(2-diphenylphosphorylphenyl)propan-2-ol is CC(C)(O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-diphenylphosphorylphenyl)propan-2-ol?
The InChIKey is VKIKCHVXXWZMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O2P/c1-21(2,22)19-15-9-10-16-20(19)24(23,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16,22H,1-2H3.
What are the key properties of 2-(2-diphenylphosphorylphenyl)propan-2-ol?
2-(2-diphenylphosphorylphenyl)propan-2-ol has a molecular weight of 336.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diphenylphosphorylphenyl)propan-2-ol is sourced from PubChem (CID 12734316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).