2-[tert-butyl(phenyl)phosphoryl]phenol

C16H19O2P — CID 127258156

IUPAC2-[tert-butyl(phenyl)phosphoryl]phenol
SMILESCC(C)(C)P(=O)(c1ccccc1)c1ccccc1O
InChIInChI=1S/C16H19O2P/c1-16(2,3)19(18,13-9-5-4-6-10-13)15-12-8-7-11-14(15)17/h4-12,17H,1-3H3
InChIKeyZAXWGJPHJAWFJU-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.50
Rot. Bonds2

About 2-[tert-butyl(phenyl)phosphoryl]phenol

2-[tert-butyl(phenyl)phosphoryl]phenol (PubChem CID 127258156) has the molecular formula C16H19O2P and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[tert-butyl(phenyl)phosphoryl]phenol.

Molecular Properties

Compound Name2-[tert-butyl(phenyl)phosphoryl]phenol
PubChem CID127258156
Molecular FormulaC16H19O2P
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-[tert-butyl(phenyl)phosphoryl]phenol
SMILESCC(C)(C)P(=O)(c1ccccc1)c1ccccc1O
InChIInChI=1S/C16H19O2P/c1-16(2,3)19(18,13-9-5-4-6-10-13)15-12-8-7-11-14(15)17/h4-12,17H,1-3H3
InChIKeyZAXWGJPHJAWFJU-UHFFFAOYSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.50
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

2-diphenylphosphorylphenol
CID 626229
1-diphenylphosphoryl-1-phenylethanol
CID 155934602
[tert-butyl(methyl)phosphoryl]benzene
CID 12568653
[tert-butyl(methyl)phosphoryl]benzene
CID 12568654
2-(2-diphenylphosphorylphenyl)propan-2-ol
CID 12734316
(2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol
CID 102355280
phenyl(2-sulfanylpropan-2-yl)phosphinic acid
CID 785432
1-[methyl(phenyl)phosphoryl]-2-phenylbenzene
CID 44633937
1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol
CID 101093613
[tert-butyl(phenyl)phosphoryl]methylbenzene
CID 10612241
2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene
CID 122593125
bromo-[tert-butyl(phenyl)phosphoryl]-methylsulfanium
CID 102057301

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(phenyl)phosphoryl]phenol?
The IUPAC name of 2-[tert-butyl(phenyl)phosphoryl]phenol (CID 127258156) is 2-[tert-butyl(phenyl)phosphoryl]phenol.
What is the SMILES notation for 2-[tert-butyl(phenyl)phosphoryl]phenol?
The canonical SMILES for 2-[tert-butyl(phenyl)phosphoryl]phenol is CC(C)(C)P(=O)(c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[tert-butyl(phenyl)phosphoryl]phenol?
The InChIKey is ZAXWGJPHJAWFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O2P/c1-16(2,3)19(18,13-9-5-4-6-10-13)15-12-8-7-11-14(15)17/h4-12,17H,1-3H3.
What are the key properties of 2-[tert-butyl(phenyl)phosphoryl]phenol?
2-[tert-butyl(phenyl)phosphoryl]phenol has a molecular weight of 274.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(phenyl)phosphoryl]phenol is sourced from PubChem (CID 127258156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).