chloro-(2,6-ditert-butylphenoxy)-phenylphosphane

C20H26ClOP — CID 54014120

IUPACchloro-(2,6-ditert-butylphenoxy)-phenylphosphane
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1OP(Cl)c1ccccc1
InChIInChI=1S/C20H26ClOP/c1-19(2,3)16-13-10-14-17(20(4,5)6)18(16)22-23(21)15-11-8-7-9-12-15/h7-14H,1-6H3
InChIKeyKUKQRKNLEXBHBH-UHFFFAOYSA-N
MW348.85 g/mol
LogP6.54
Rot. Bonds3

About chloro-(2,6-ditert-butylphenoxy)-phenylphosphane

chloro-(2,6-ditert-butylphenoxy)-phenylphosphane (PubChem CID 54014120) has the molecular formula C20H26ClOP and a molecular weight of 348.85 g/mol. Its IUPAC name is chloro-(2,6-ditert-butylphenoxy)-phenylphosphane.

Molecular Properties

Compound Namechloro-(2,6-ditert-butylphenoxy)-phenylphosphane
PubChem CID54014120
Molecular FormulaC20H26ClOP
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC Namechloro-(2,6-ditert-butylphenoxy)-phenylphosphane
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1OP(Cl)c1ccccc1
InChIInChI=1S/C20H26ClOP/c1-19(2,3)16-13-10-14-17(20(4,5)6)18(16)22-23(21)15-11-8-7-9-12-15/h7-14H,1-6H3
InChIKeyKUKQRKNLEXBHBH-UHFFFAOYSA-N
XLogP6.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.85
LogP ≤ 56.54
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

(2,6-ditert-butylphenyl) diphenyl phosphite
CID 86014872
bis(2,6-ditert-butylphenyl) fluoro phosphite
CID 67572261
[2-bis(2,6-ditert-butylphenoxy)phosphanyl-3-phenylphenyl]-bis(2,6-ditert-butylphenoxy)phosphane
CID 141242594
bis(2,6-ditert-butylphenyl) 2,2-dimethylpropyl phosphite
CID 91582940
(2-tert-butylphenoxy)-phenylphosphinous acid
CID 151933242
chloro-phenyl-(2-propan-2-ylphenoxy)phosphane
CID 20820446
CID 175472927
CID 175472927
bis(2,6-ditert-butylphenolate);dichlororuthenium(2+);methylaluminum(2+);tetrachloromethane;tris(triphenylphosphane)
CID 173064606
(2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane
CID 142114981
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
(2,6-ditert-butylphenyl) trifluoromethanesulfonate
CID 87391356
chloro-bis(2,6-ditert-butyl-4-chlorophenoxy)phosphane
CID 23331256

Frequently Asked Questions

What is the IUPAC name of chloro-(2,6-ditert-butylphenoxy)-phenylphosphane?
The IUPAC name of chloro-(2,6-ditert-butylphenoxy)-phenylphosphane (CID 54014120) is chloro-(2,6-ditert-butylphenoxy)-phenylphosphane.
What is the SMILES notation for chloro-(2,6-ditert-butylphenoxy)-phenylphosphane?
The canonical SMILES for chloro-(2,6-ditert-butylphenoxy)-phenylphosphane is CC(C)(C)c1cccc(C(C)(C)C)c1OP(Cl)c1ccccc1.
What is the InChIKey of chloro-(2,6-ditert-butylphenoxy)-phenylphosphane?
The InChIKey is KUKQRKNLEXBHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClOP/c1-19(2,3)16-13-10-14-17(20(4,5)6)18(16)22-23(21)15-11-8-7-9-12-15/h7-14H,1-6H3.
What are the key properties of chloro-(2,6-ditert-butylphenoxy)-phenylphosphane?
chloro-(2,6-ditert-butylphenoxy)-phenylphosphane has a molecular weight of 348.85 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2,6-ditert-butylphenoxy)-phenylphosphane is sourced from PubChem (CID 54014120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).