copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)

C30H46CuO8P2-4 — CID 157482776

IUPACcopper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)
SMILESCC(C)(C)c1cc(CP(=O)([O-])[O-])cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CP(=O)([O-])[O-])cc(C(C)(C)C)c1O.[Cu]
InChIInChI=1S/2C15H25O4P.Cu/c2*1-14(2,3)11-7-10(9-20(17,18)19)8-12(13(11)16)15(4,5)6;/h2*7-8,16H,9H2,1-6H3,(H2,17,18,19);/p-4
InChIKeyUOWZLXIYVZTSDZ-UHFFFAOYSA-J
MW660.18 g/mol
LogP4.80
Rot. Bonds4

About copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)

copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol) (PubChem CID 157482776) has the molecular formula C30H46CuO8P2-4 and a molecular weight of 660.18 g/mol. Its IUPAC name is copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol).

Molecular Properties

Compound Namecopper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)
PubChem CID157482776
Molecular FormulaC30H46CuO8P2-4
Molecular Weight660.18 g/mol
Exact Mass659.20
IUPAC Namecopper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)
SMILESCC(C)(C)c1cc(CP(=O)([O-])[O-])cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CP(=O)([O-])[O-])cc(C(C)(C)C)c1O.[Cu]
InChIInChI=1S/2C15H25O4P.Cu/c2*1-14(2,3)11-7-10(9-20(17,18)19)8-12(13(11)16)15(4,5)6;/h2*7-8,16H,9H2,1-6H3,(H2,17,18,19);/p-4
InChIKeyUOWZLXIYVZTSDZ-UHFFFAOYSA-J
XLogP4.80
TPSA166.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500660.18
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)
CID 161172896
bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+)
CID 15752109
calcium;(3,5-ditert-butyl-4-hydroxyphenyl)methylphosphonic acid;hydride
CID 173169502
disodium;2,6-ditert-butyl-4-(3-phosphonatopropyl)phenol
CID 172808493
(3,5-ditert-butyl-4-hydroxyphenyl)methoxy-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphinic acid
CID 149251641
2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;(3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate;methane
CID 158091243
potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride
CID 173169408
1-(3,5-ditert-butyl-4-hydroxyphenyl)butane-2,3-dione
CID 57227940
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphate;ethanolate;nickel
CID 158833007
2,6-ditert-butyl-4-(didodecoxyphosphorylmethyl)phenol
CID 23358457
2,6-ditert-butyl-4-(nitrosomethyl)phenol
CID 54100018

Frequently Asked Questions

What is the IUPAC name of copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)?
The IUPAC name of copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol) (CID 157482776) is copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol).
What is the SMILES notation for copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)?
The canonical SMILES for copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol) is CC(C)(C)c1cc(CP(=O)([O-])[O-])cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CP(=O)([O-])[O-])cc(C(C)(C)C)c1O.[Cu].
What is the InChIKey of copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)?
The InChIKey is UOWZLXIYVZTSDZ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C15H25O4P.Cu/c2*1-14(2,3)11-7-10(9-20(17,18)19)8-12(13(11)16)15(4,5)6;/h2*7-8,16H,9H2,1-6H3,(H2,17,18,19);/p-4.
What are the key properties of copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)?
copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol) has a molecular weight of 660.18 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol) is sourced from PubChem (CID 157482776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).