(2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane

C26H33OP — CID 145139509

IUPAC(2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane
SMILESCC.Cc1cc(C(C)(C)C)cc(C(c2ccccc2)c2ccccc2)c1OP
InChIInChI=1S/C24H27OP.C2H6/c1-17-15-20(24(2,3)4)16-21(23(17)25-26)22(18-11-7-5-8-12-18)19-13-9-6-10-14-19;1-2/h5-16,22H,26H2,1-4H3;1-2H3
InChIKeyGWBKPFDSECGFNS-UHFFFAOYSA-N
MW392.52 g/mol
LogP7.67
Rot. Bonds4

About (2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane

(2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane (PubChem CID 145139509) has the molecular formula C26H33OP and a molecular weight of 392.52 g/mol. Its IUPAC name is (2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane.

Molecular Properties

Compound Name(2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane
PubChem CID145139509
Molecular FormulaC26H33OP
Molecular Weight392.52 g/mol
Exact Mass392.23
IUPAC Name(2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane
SMILESCC.Cc1cc(C(C)(C)C)cc(C(c2ccccc2)c2ccccc2)c1OP
InChIInChI=1S/C24H27OP.C2H6/c1-17-15-20(24(2,3)4)16-21(23(17)25-26)22(18-11-7-5-8-12-18)19-13-9-6-10-14-19;1-2/h5-16,22H,26H2,1-4H3;1-2H3
InChIKeyGWBKPFDSECGFNS-UHFFFAOYSA-N
XLogP7.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane?
The IUPAC name of (2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane (CID 145139509) is (2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane.
What is the SMILES notation for (2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane?
The canonical SMILES for (2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane is CC.Cc1cc(C(C)(C)C)cc(C(c2ccccc2)c2ccccc2)c1OP.
What is the InChIKey of (2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane?
The InChIKey is GWBKPFDSECGFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27OP.C2H6/c1-17-15-20(24(2,3)4)16-21(23(17)25-26)22(18-11-7-5-8-12-18)19-13-9-6-10-14-19;1-2/h5-16,22H,26H2,1-4H3;1-2H3.
What are the key properties of (2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane?
(2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane has a molecular weight of 392.52 g/mol, XLogP of 7.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzhydryl-4-tert-butyl-6-methylphenoxy)phosphane;ethane is sourced from PubChem (CID 145139509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).