dimagnesium bis(4-(1-phosphonatopropyl)phenol)

C18H22Mg2O8P2 — CID 140511324

IUPACdimagnesium bis(4-(1-phosphonatopropyl)phenol)
SMILESCCC(c1ccc(O)cc1)P(=O)([O-])[O-].CCC(c1ccc(O)cc1)P(=O)([O-])[O-].[Mg+2].[Mg+2]
InChIInChI=1S/2C9H13O4P.2Mg/c2*1-2-9(14(11,12)13)7-3-5-8(10)6-4-7;;/h2*3-6,9-10H,2H2,1H3,(H2,11,12,13);;/q;;2*+2/p-4
InChIKeyKSECNEKVFYSTOJ-UHFFFAOYSA-J
MW476.92 g/mol
LogP0.75
Rot. Bonds6

About dimagnesium bis(4-(1-phosphonatopropyl)phenol)

dimagnesium bis(4-(1-phosphonatopropyl)phenol) (PubChem CID 140511324) has the molecular formula C18H22Mg2O8P2 and a molecular weight of 476.92 g/mol. Its IUPAC name is dimagnesium bis(4-(1-phosphonatopropyl)phenol).

Molecular Properties

Compound Namedimagnesium bis(4-(1-phosphonatopropyl)phenol)
PubChem CID140511324
Molecular FormulaC18H22Mg2O8P2
Molecular Weight476.92 g/mol
Exact Mass476.05
IUPAC Namedimagnesium bis(4-(1-phosphonatopropyl)phenol)
SMILESCCC(c1ccc(O)cc1)P(=O)([O-])[O-].CCC(c1ccc(O)cc1)P(=O)([O-])[O-].[Mg+2].[Mg+2]
InChIInChI=1S/2C9H13O4P.2Mg/c2*1-2-9(14(11,12)13)7-3-5-8(10)6-4-7;;/h2*3-6,9-10H,2H2,1H3,(H2,11,12,13);;/q;;2*+2/p-4
InChIKeyKSECNEKVFYSTOJ-UHFFFAOYSA-J
XLogP0.75
TPSA166.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

sodium bis[4-[5-(4-hydroxyphenyl)heptan-3-yl]phenyl] phosphate
CID 159223986
[4-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl] dihydrogen phosphate
CID 22234939
4-(2-methyl-1-nitrobutyl)phenol
CID 54347365
4-(4-methylhexan-3-yl)phenol
CID 123259382
4-[(3S)-4-hydroxyhexan-3-yl]phenol
CID 175488649
4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol
CID 12962984
1-(4-hydroxyphenyl)propyl-trimethylazanium
CID 3026627
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
4-[1-[bis(3,5-ditritiooctadecoxy)phosphoryl]pentyl]phenol
CID 54532484
2-(4-hydroxyphenyl)-3-methylpentanoic acid
CID 83820428
(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid
CID 12962939
4-[1-(4-hydroxyphenyl)propyl]phenol;undecane
CID 174905836

Frequently Asked Questions

What is the IUPAC name of dimagnesium bis(4-(1-phosphonatopropyl)phenol)?
The IUPAC name of dimagnesium bis(4-(1-phosphonatopropyl)phenol) (CID 140511324) is dimagnesium bis(4-(1-phosphonatopropyl)phenol).
What is the SMILES notation for dimagnesium bis(4-(1-phosphonatopropyl)phenol)?
The canonical SMILES for dimagnesium bis(4-(1-phosphonatopropyl)phenol) is CCC(c1ccc(O)cc1)P(=O)([O-])[O-].CCC(c1ccc(O)cc1)P(=O)([O-])[O-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium bis(4-(1-phosphonatopropyl)phenol)?
The InChIKey is KSECNEKVFYSTOJ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C9H13O4P.2Mg/c2*1-2-9(14(11,12)13)7-3-5-8(10)6-4-7;;/h2*3-6,9-10H,2H2,1H3,(H2,11,12,13);;/q;;2*+2/p-4.
What are the key properties of dimagnesium bis(4-(1-phosphonatopropyl)phenol)?
dimagnesium bis(4-(1-phosphonatopropyl)phenol) has a molecular weight of 476.92 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium bis(4-(1-phosphonatopropyl)phenol) is sourced from PubChem (CID 140511324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).