tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane

C18H23P — CID 134940623

IUPACtert-butyl-[(4-methylphenyl)methyl]-phenylphosphane
SMILESCc1ccc(CP(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C18H23P/c1-15-10-12-16(13-11-15)14-19(18(2,3)4)17-8-6-5-7-9-17/h5-13H,14H2,1-4H3
InChIKeyZYVOHYBLURRNDA-UHFFFAOYSA-N
MW270.36 g/mol
LogP5.10
Rot. Bonds3

About tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane

tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane (PubChem CID 134940623) has the molecular formula C18H23P and a molecular weight of 270.36 g/mol. Its IUPAC name is tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane.

Molecular Properties

Compound Nametert-butyl-[(4-methylphenyl)methyl]-phenylphosphane
PubChem CID134940623
Molecular FormulaC18H23P
Molecular Weight270.36 g/mol
Exact Mass270.15
IUPAC Nametert-butyl-[(4-methylphenyl)methyl]-phenylphosphane
SMILESCc1ccc(CP(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C18H23P/c1-15-10-12-16(13-11-15)14-19(18(2,3)4)17-8-6-5-7-9-17/h5-13H,14H2,1-4H3
InChIKeyZYVOHYBLURRNDA-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.36
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl-[2-[benzyl(tert-butyl)phosphanyl]phenyl]-tert-butylphosphane
CID 102459485
chloromethane;toluene
CID 178022822
(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane
CID 141372825
magnesium;butyl-tert-butyl-phenylphosphane;dichloride
CID 174942565
2-chloro-2-methylpropane;toluene
CID 67707971
1-benzyl-4-methylbenzene;toluene
CID 144690555
chloromethane;toluene;dihydrochloride
CID 174689155
benzene;bis(1,4-xylene)
CID 159472747
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
CID 123858491
ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021
benzene;tetrachloromethane;toluene
CID 172748154
ditert-butyl(phenyl)phosphane;dichloropalladium
CID 87286096

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane?
The IUPAC name of tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane (CID 134940623) is tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane.
What is the SMILES notation for tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane?
The canonical SMILES for tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane is Cc1ccc(CP(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane?
The InChIKey is ZYVOHYBLURRNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23P/c1-15-10-12-16(13-11-15)14-19(18(2,3)4)17-8-6-5-7-9-17/h5-13H,14H2,1-4H3.
What are the key properties of tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane?
tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane has a molecular weight of 270.36 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4-methylphenyl)methyl]-phenylphosphane is sourced from PubChem (CID 134940623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).