[tert-butyl(phenyl)phosphoryl]methylbenzene

C17H21OP — CID 10612241

IUPAC[tert-butyl(phenyl)phosphoryl]methylbenzene
SMILESCC(C)(C)P(=O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21OP/c1-17(2,3)19(18,16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3
InChIKeyLXOLWWUPIYKYGG-UHFFFAOYSA-N
MW272.33 g/mol
LogP4.67
Rot. Bonds3

About [tert-butyl(phenyl)phosphoryl]methylbenzene

[tert-butyl(phenyl)phosphoryl]methylbenzene (PubChem CID 10612241) has the molecular formula C17H21OP and a molecular weight of 272.33 g/mol. Its IUPAC name is [tert-butyl(phenyl)phosphoryl]methylbenzene.

Molecular Properties

Compound Name[tert-butyl(phenyl)phosphoryl]methylbenzene
PubChem CID10612241
Molecular FormulaC17H21OP
Molecular Weight272.33 g/mol
Exact Mass272.13
IUPAC Name[tert-butyl(phenyl)phosphoryl]methylbenzene
SMILESCC(C)(C)P(=O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21OP/c1-17(2,3)19(18,16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3
InChIKeyLXOLWWUPIYKYGG-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol
CID 102355280
benzyl-ditert-butyl-sulfanylidene-λ5-phosphane
CID 175377424
[tert-butyl(methyl)phosphoryl]benzene
CID 12568654
[tert-butyl(methyl)phosphoryl]benzene
CID 12568653
2,2-bis(dibenzylphosphoryl)propanoic acid
CID 23103485
1-(diphenylphosphorylmethyl)-4-ethylbenzene
CID 160537726
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
[tert-butyl(phenyl)phosphoryl]-(chloromethyl)sulfanium
CID 57361630
CID 23340127
CID 23340127
[phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene
CID 134934290
2-[phenyl(propylsulfanyl)phosphoryl]propan-2-ol
CID 13048791
1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene
CID 175093390

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(phenyl)phosphoryl]methylbenzene?
The IUPAC name of [tert-butyl(phenyl)phosphoryl]methylbenzene (CID 10612241) is [tert-butyl(phenyl)phosphoryl]methylbenzene.
What is the SMILES notation for [tert-butyl(phenyl)phosphoryl]methylbenzene?
The canonical SMILES for [tert-butyl(phenyl)phosphoryl]methylbenzene is CC(C)(C)P(=O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of [tert-butyl(phenyl)phosphoryl]methylbenzene?
The InChIKey is LXOLWWUPIYKYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21OP/c1-17(2,3)19(18,16-12-8-5-9-13-16)14-15-10-6-4-7-11-15/h4-13H,14H2,1-3H3.
What are the key properties of [tert-butyl(phenyl)phosphoryl]methylbenzene?
[tert-butyl(phenyl)phosphoryl]methylbenzene has a molecular weight of 272.33 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(phenyl)phosphoryl]methylbenzene is sourced from PubChem (CID 10612241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).