4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane

C11H15O3P — CID 141057918

IUPAC4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane
SMILESCC(C)(C)C1(c2ccccc2)OP(O)O1
InChIInChI=1S/C11H15O3P/c1-10(2,3)11(13-15(12)14-11)9-7-5-4-6-8-9/h4-8,12H,1-3H3
InChIKeyVJUYAFASHMAOER-UHFFFAOYSA-N
MW226.21 g/mol
LogP3.15
Rot. Bonds1

About 4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane

4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane (PubChem CID 141057918) has the molecular formula C11H15O3P and a molecular weight of 226.21 g/mol. Its IUPAC name is 4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane.

Molecular Properties

Compound Name4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane
PubChem CID141057918
Molecular FormulaC11H15O3P
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane
SMILESCC(C)(C)C1(c2ccccc2)OP(O)O1
InChIInChI=1S/C11H15O3P/c1-10(2,3)11(13-15(12)14-11)9-7-5-4-6-8-9/h4-8,12H,1-3H3
InChIKeyVJUYAFASHMAOER-UHFFFAOYSA-N
XLogP3.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-2-phenyl-1,3-dioxane-4-carboxylic acid
CID 174209977
(3aS,8aS)-6-tert-butyl-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepine
CID 162462396
12-[(4R,5R)-2-tert-butyl-5-(12-hydroxy-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-2-phenyl-1,3-dioxolan-4-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-ol
CID 135082646
2-(1-phenylcyclopentyl)propan-2-ol
CID 131445043
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
(3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane
CID 102063010
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolan-2-ol
CID 102285704
2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol
CID 15579859
CID 19994147
CID 19994147
4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)benzoic acid
CID 10779992
(3aS,8aS)-N,2,2-trimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine
CID 101072445
2-methyl-4,4,5,5-tetraphenyl-1,3,2-dioxalumolane
CID 16688767

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane?
The IUPAC name of 4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane (CID 141057918) is 4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane.
What is the SMILES notation for 4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane?
The canonical SMILES for 4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane is CC(C)(C)C1(c2ccccc2)OP(O)O1.
What is the InChIKey of 4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane?
The InChIKey is VJUYAFASHMAOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O3P/c1-10(2,3)11(13-15(12)14-11)9-7-5-4-6-8-9/h4-8,12H,1-3H3.
What are the key properties of 4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane?
4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane has a molecular weight of 226.21 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-hydroxy-4-phenyl-1,3,2-dioxaphosphetane is sourced from PubChem (CID 141057918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).