1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene

C20H26ClO3P — CID 15755466

IUPAC1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene
SMILESCC(C)(C)c1ccccc1OP(=O)(Cl)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C20H26ClO3P/c1-19(2,3)15-11-7-9-13-17(15)23-25(21,22)24-18-14-10-8-12-16(18)20(4,5)6/h7-14H,1-6H3
InChIKeyNUEKAGTUPMNMLX-UHFFFAOYSA-N
MW380.85 g/mol
LogP7.09
Rot. Bonds4

About 1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene

1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene (PubChem CID 15755466) has the molecular formula C20H26ClO3P and a molecular weight of 380.85 g/mol. Its IUPAC name is 1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene.

Molecular Properties

Compound Name1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene
PubChem CID15755466
Molecular FormulaC20H26ClO3P
Molecular Weight380.85 g/mol
Exact Mass380.13
IUPAC Name1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene
SMILESCC(C)(C)c1ccccc1OP(=O)(Cl)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C20H26ClO3P/c1-19(2,3)15-11-7-9-13-17(15)23-25(21,22)24-18-14-10-8-12-16(18)20(4,5)6/h7-14H,1-6H3
InChIKeyNUEKAGTUPMNMLX-UHFFFAOYSA-N
XLogP7.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.85
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tri-p-cresyl phosphate
CID 6529
Fosfestrol
CID 3032325
Diphenyl cresyl phosphate
CID 520263
o-Cresyl phosphate
CID 6527
Monocresyl diphenyl phosphate
CID 6528
SODIUM o-PHENYLPHENOL
CID 23675735
Tris(nonylphenyl)phosphite
CID 76452
Tris(isopropylphenyl) phosphate
CID 75628
Trixylenyl phosphate
CID 19736
Tris(p-t-butylphenyl) phosphate
CID 6530
Isodecyl diphenyl phosphate
CID 34697
p-tert-Butylphenyl diphenyl phosphate
CID 70425

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene?
The IUPAC name of 1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene (CID 15755466) is 1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene.
What is the SMILES notation for 1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene?
The canonical SMILES for 1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene is CC(C)(C)c1ccccc1OP(=O)(Cl)Oc1ccccc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene?
The InChIKey is NUEKAGTUPMNMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClO3P/c1-19(2,3)15-11-7-9-13-17(15)23-25(21,22)24-18-14-10-8-12-16(18)20(4,5)6/h7-14H,1-6H3.
What are the key properties of 1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene?
1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene has a molecular weight of 380.85 g/mol, XLogP of 7.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(2-tert-butylphenoxy)-chlorophosphoryl]oxybenzene is sourced from PubChem (CID 15755466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).