bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane

C30H39O2P — CID 54542176

IUPACbis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane
SMILESCC(C)(C)c1ccc(P(Oc2ccccc2C(C)(C)C)Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C30H39O2P/c1-28(2,3)22-18-20-23(21-19-22)33(31-26-16-12-10-14-24(26)29(4,5)6)32-27-17-13-11-15-25(27)30(7,8)9/h10-21H,1-9H3
InChIKeyZDZRBMVWTDYEGL-UHFFFAOYSA-N
MW462.61 g/mol
LogP8.67
Rot. Bonds5

About bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane

bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane (PubChem CID 54542176) has the molecular formula C30H39O2P and a molecular weight of 462.61 g/mol. Its IUPAC name is bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane.

Molecular Properties

Compound Namebis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane
PubChem CID54542176
Molecular FormulaC30H39O2P
Molecular Weight462.61 g/mol
Exact Mass462.27
IUPAC Namebis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane
SMILESCC(C)(C)c1ccc(P(Oc2ccccc2C(C)(C)C)Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C30H39O2P/c1-28(2,3)22-18-20-23(21-19-22)33(31-26-16-12-10-14-24(26)29(4,5)6)32-27-17-13-11-15-25(27)30(7,8)9/h10-21H,1-9H3
InChIKeyZDZRBMVWTDYEGL-UHFFFAOYSA-N
XLogP8.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.61
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane
CID 142114981
bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite
CID 54014526
(2-tert-butylphenoxy)-phenylphosphinous acid
CID 151933242
(2-tert-butylphenoxy)-di(propan-2-yl)phosphane
CID 11346160
(2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane
CID 134479186
(2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite
CID 154036014
bis(2,4-ditert-butyl-5-methylphenoxy)-phenylphosphane
CID 58892302
bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane
CID 91487722
[4-[4-[bis(2,4-ditert-butylphenoxy)phosphanylmethyl]phenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane
CID 134339602
(2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite
CID 23002710
bis(2,4-ditert-butylphenoxy)-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phosphane
CID 167052856
[2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite
CID 58931579

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane?
The IUPAC name of bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane (CID 54542176) is bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane.
What is the SMILES notation for bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane?
The canonical SMILES for bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane is CC(C)(C)c1ccc(P(Oc2ccccc2C(C)(C)C)Oc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane?
The InChIKey is ZDZRBMVWTDYEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39O2P/c1-28(2,3)22-18-20-23(21-19-22)33(31-26-16-12-10-14-24(26)29(4,5)6)32-27-17-13-11-15-25(27)30(7,8)9/h10-21H,1-9H3.
What are the key properties of bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane?
bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane has a molecular weight of 462.61 g/mol, XLogP of 8.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane is sourced from PubChem (CID 54542176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).