(2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane

C38H47O2P — CID 134479186

IUPAC(2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane
SMILESCCc1ccc(OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C38H47O2P/c1-11-27-17-23-34(32(25-27)37(5,6)7)39-41(31-21-18-29(19-22-31)28-15-13-12-14-16-28)40-35-24-20-30(36(2,3)4)26-33(35)38(8,9)10/h12-26H,11H2,1-10H3
InChIKeyVAOOZCGQRYLKSD-UHFFFAOYSA-N
MW566.77 g/mol
LogP10.90
Rot. Bonds7

About (2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane

(2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane (PubChem CID 134479186) has the molecular formula C38H47O2P and a molecular weight of 566.77 g/mol. Its IUPAC name is (2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane.

Molecular Properties

Compound Name(2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane
PubChem CID134479186
Molecular FormulaC38H47O2P
Molecular Weight566.77 g/mol
Exact Mass566.33
IUPAC Name(2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane
SMILESCCc1ccc(OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C38H47O2P/c1-11-27-17-23-34(32(25-27)37(5,6)7)39-41(31-21-18-29(19-22-31)28-15-13-12-14-16-28)40-35-24-20-30(36(2,3)4)26-33(35)38(8,9)10/h12-26H,11H2,1-10H3
InChIKeyVAOOZCGQRYLKSD-UHFFFAOYSA-N
XLogP10.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.77
LogP ≤ 510.90
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

[4-[4-[bis(2,4-ditert-butylphenoxy)phosphanylmethyl]phenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane
CID 134339602
bis(2,4-ditert-butyl-5-methylphenoxy)-methylphosphane;(2,4-ditert-butyl-5-methylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane
CID 91487722
bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane
CID 54542176
1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
CID 142597809
[4-[4-bis(2,4-ditert-butylphenoxy)phosphanylphenyl]phenyl]-(4,6-ditert-butyl-3-methylcyclohexa-1,5-dien-1-yl)oxy-(2,4-ditert-butylphenoxy)phosphane
CID 143570123
(4-tert-butyl-2-methylphenoxy)-[4-[4-[(4-tert-butyl-2-methylphenoxy)-(2,4-dimethylphenoxy)phosphanyl]phenyl]phenyl]-(2,4-dimethylphenoxy)phosphane
CID 122596264
(2-tert-butyl-4-ethylphenyl) benzoate
CID 146420995
(2,4-ditert-butylphenoxy)-dimethylphosphane
CID 19091733
bis(2,4-ditert-butylphenoxy)-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phosphane
CID 167052856
dibismuth;tris((2,4-ditert-butylphenyl) phosphite)
CID 159144248
2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane
CID 139718939
[3-[4-bis(2,4-ditert-butyl-5-methylphenoxy)phosphanylphenyl]phenyl]-bis(2,4-ditert-butyl-5-methylphenoxy)phosphane
CID 141255569

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane?
The IUPAC name of (2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane (CID 134479186) is (2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane.
What is the SMILES notation for (2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane?
The canonical SMILES for (2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane is CCc1ccc(OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1.
What is the InChIKey of (2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane?
The InChIKey is VAOOZCGQRYLKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47O2P/c1-11-27-17-23-34(32(25-27)37(5,6)7)39-41(31-21-18-29(19-22-31)28-15-13-12-14-16-28)40-35-24-20-30(36(2,3)4)26-33(35)38(8,9)10/h12-26H,11H2,1-10H3.
What are the key properties of (2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane?
(2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane has a molecular weight of 566.77 g/mol, XLogP of 10.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-ethylphenoxy)-(2,4-ditert-butylphenoxy)-(4-phenylphenyl)phosphane is sourced from PubChem (CID 134479186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).