bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane

C30H37O2P — CID 151425397

IUPACbis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane
SMILESC=COCCOc1ccc(P(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H37O2P/c1-8-31-21-22-32-25-13-19-28(20-14-25)33(26-15-9-23(10-16-26)29(2,3)4)27-17-11-24(12-18-27)30(5,6)7/h8-20H,1,21-22H2,2-7H3
InChIKeyPBKGPRLRMLSUEA-UHFFFAOYSA-N
MW460.60 g/mol
LogP6.58
Rot. Bonds8

About bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane

bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane (PubChem CID 151425397) has the molecular formula C30H37O2P and a molecular weight of 460.60 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane.

Molecular Properties

Compound Namebis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane
PubChem CID151425397
Molecular FormulaC30H37O2P
Molecular Weight460.60 g/mol
Exact Mass460.25
IUPAC Namebis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane
SMILESC=COCCOc1ccc(P(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H37O2P/c1-8-31-21-22-32-25-13-19-28(20-14-25)33(26-15-9-23(10-16-26)29(2,3)4)27-17-11-24(12-18-27)30(5,6)7/h8-20H,1,21-22H2,2-7H3
InChIKeyPBKGPRLRMLSUEA-UHFFFAOYSA-N
XLogP6.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane?
The IUPAC name of bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane (CID 151425397) is bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane.
What is the SMILES notation for bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane?
The canonical SMILES for bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane is C=COCCOc1ccc(P(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane?
The InChIKey is PBKGPRLRMLSUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37O2P/c1-8-31-21-22-32-25-13-19-28(20-14-25)33(26-15-9-23(10-16-26)29(2,3)4)27-17-11-24(12-18-27)30(5,6)7/h8-20H,1,21-22H2,2-7H3.
What are the key properties of bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane?
bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane has a molecular weight of 460.60 g/mol, XLogP of 6.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenyl)-[4-(2-ethenoxyethoxy)phenyl]phosphane is sourced from PubChem (CID 151425397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).