(4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one

C60H85O5P — CID 159783887

IUPAC(4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one
SMILESCCC(=O)C1CC12CC(C(C)(C)C)C(O)C(C(C)(C)C)C2.Cc1ccc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C.Cc1ccc(POc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H30O2.C19H34O2.C17H21OP/c1-14-9-10-16(11-15(14)2)20-18-12-17(23(3,4)5)13-19(24(6,7)8)21(18)26-22(20)25;1-8-15(20)12-9-19(12)10-13(17(2,3)4)16(21)14(11-19)18(5,6)7;1-13-5-11-16(12-6-13)19-18-15-9-7-14(8-10-15)17(2,3)4/h9-13,20H,1-8H3;12-14,16,21H,8-11H2,1-7H3;5-12,19H,1-4H3
InChIKeyNHSAWHUKFMOQGV-UHFFFAOYSA-N
MW917.31 g/mol
LogP14.99
Rot. Bonds6

About (4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one

(4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one (PubChem CID 159783887) has the molecular formula C60H85O5P and a molecular weight of 917.31 g/mol. Its IUPAC name is (4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one.

Molecular Properties

Compound Name(4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one
PubChem CID159783887
Molecular FormulaC60H85O5P
Molecular Weight917.31 g/mol
Exact Mass916.61
IUPAC Name(4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one
SMILESCCC(=O)C1CC12CC(C(C)(C)C)C(O)C(C(C)(C)C)C2.Cc1ccc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C.Cc1ccc(POc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H30O2.C19H34O2.C17H21OP/c1-14-9-10-16(11-15(14)2)20-18-12-17(23(3,4)5)13-19(24(6,7)8)21(18)26-22(20)25;1-8-15(20)12-9-19(12)10-13(17(2,3)4)16(21)14(11-19)18(5,6)7;1-13-5-11-16(12-6-13)19-18-15-9-7-14(8-10-15)17(2,3)4/h9-13,20H,1-8H3;12-14,16,21H,8-11H2,1-7H3;5-12,19H,1-4H3
InChIKeyNHSAWHUKFMOQGV-UHFFFAOYSA-N
XLogP14.99
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.31
LogP ≤ 514.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one?
The IUPAC name of (4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one (CID 159783887) is (4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one.
What is the SMILES notation for (4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one?
The canonical SMILES for (4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one is CCC(=O)C1CC12CC(C(C)(C)C)C(O)C(C(C)(C)C)C2.Cc1ccc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc1C.Cc1ccc(POc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one?
The InChIKey is NHSAWHUKFMOQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2.C19H34O2.C17H21OP/c1-14-9-10-16(11-15(14)2)20-18-12-17(23(3,4)5)13-19(24(6,7)8)21(18)26-22(20)25;1-8-15(20)12-9-19(12)10-13(17(2,3)4)16(21)14(11-19)18(5,6)7;1-13-5-11-16(12-6-13)19-18-15-9-7-14(8-10-15)17(2,3)4/h9-13,20H,1-8H3;12-14,16,21H,8-11H2,1-7H3;5-12,19H,1-4H3.
What are the key properties of (4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one?
(4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one has a molecular weight of 917.31 g/mol, XLogP of 14.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenoxy)-(4-methylphenyl)phosphane;5,7-ditert-butyl-3-(3,4-dimethylphenyl)-3H-1-benzofuran-2-one;1-(5,7-ditert-butyl-6-hydroxyspiro[2.5]octan-2-yl)propan-1-one is sourced from PubChem (CID 159783887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).