(2,4-ditert-butylphenoxy)-methylphosphane

C15H25OP — CID 23594675

IUPAC(2,4-ditert-butylphenoxy)-methylphosphane
SMILESCPOc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C15H25OP/c1-14(2,3)11-8-9-13(16-17-7)12(10-11)15(4,5)6/h8-10,17H,1-7H3
InChIKeyLQKXDQIDOJAGJT-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.88
Rot. Bonds2

About (2,4-ditert-butylphenoxy)-methylphosphane

(2,4-ditert-butylphenoxy)-methylphosphane (PubChem CID 23594675) has the molecular formula C15H25OP and a molecular weight of 252.34 g/mol. Its IUPAC name is (2,4-ditert-butylphenoxy)-methylphosphane.

Molecular Properties

Compound Name(2,4-ditert-butylphenoxy)-methylphosphane
PubChem CID23594675
Molecular FormulaC15H25OP
Molecular Weight252.34 g/mol
Exact Mass252.16
IUPAC Name(2,4-ditert-butylphenoxy)-methylphosphane
SMILESCPOc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C15H25OP/c1-14(2,3)11-8-9-13(16-17-7)12(10-11)15(4,5)6/h8-10,17H,1-7H3
InChIKeyLQKXDQIDOJAGJT-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.88
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

2,4-ditert-butyl-1-(trifluoromethoxy)benzene
CID 164683677
(2,4-ditert-butylphenoxy)-dimethylphosphane
CID 19091733
dibismuth;tris((2,4-ditert-butylphenyl) phosphite)
CID 159144248
(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159985357
tris(2,4-ditert-butylphenoxy)-sulfanylidene-λ5-phosphane
CID 175673047
ditert-butyl-(2,4-ditert-butylphenoxy)phosphane
CID 137456665
(2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane
CID 59422614
2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane
CID 139718939
(2,4-ditert-butylphenyl) ethanesulfonate
CID 86639499
bis(3,6-ditert-butylnaphthalen-2-yl) (2,4-ditert-butylphenyl) phosphite
CID 23002702
(2,4-ditert-butylphenoxy)methyl hydrogen carbonate
CID 145055436
2,4-ditert-butyl-1-prop-2-ynoxybenzene
CID 50886344

Frequently Asked Questions

What is the IUPAC name of (2,4-ditert-butylphenoxy)-methylphosphane?
The IUPAC name of (2,4-ditert-butylphenoxy)-methylphosphane (CID 23594675) is (2,4-ditert-butylphenoxy)-methylphosphane.
What is the SMILES notation for (2,4-ditert-butylphenoxy)-methylphosphane?
The canonical SMILES for (2,4-ditert-butylphenoxy)-methylphosphane is CPOc1ccc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of (2,4-ditert-butylphenoxy)-methylphosphane?
The InChIKey is LQKXDQIDOJAGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25OP/c1-14(2,3)11-8-9-13(16-17-7)12(10-11)15(4,5)6/h8-10,17H,1-7H3.
What are the key properties of (2,4-ditert-butylphenoxy)-methylphosphane?
(2,4-ditert-butylphenoxy)-methylphosphane has a molecular weight of 252.34 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-ditert-butylphenoxy)-methylphosphane is sourced from PubChem (CID 23594675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).