3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium

C20H28O6P2+2 — CID 87504446

IUPAC3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
SMILESCCCCc1ccc(O)c(-c2ccccc2)c1CCCC.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C20H26O.O5P2/c1-3-5-10-16-14-15-19(21)20(18(16)13-6-4-2)17-11-8-7-9-12-17;1-6(2)5-7(3)4/h7-9,11-12,14-15,21H,3-6,10,13H2,1-2H3;/p+2
InChIKeyIPJNPEQMQURNSQ-UHFFFAOYSA-P
MW426.39 g/mol
LogP6.05
Rot. Bonds9

About 3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium

3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium (PubChem CID 87504446) has the molecular formula C20H28O6P2+2 and a molecular weight of 426.39 g/mol. Its IUPAC name is 3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium.

Molecular Properties

Compound Name3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
PubChem CID87504446
Molecular FormulaC20H28O6P2+2
Molecular Weight426.39 g/mol
Exact Mass426.14
IUPAC Name3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
SMILESCCCCc1ccc(O)c(-c2ccccc2)c1CCCC.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C20H26O.O5P2/c1-3-5-10-16-14-15-19(21)20(18(16)13-6-4-2)17-11-8-7-9-12-17;1-6(2)5-7(3)4/h7-9,11-12,14-15,21H,3-6,10,13H2,1-2H3;/p+2
InChIKeyIPJNPEQMQURNSQ-UHFFFAOYSA-P
XLogP6.05
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.39
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
The IUPAC name of 3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium (CID 87504446) is 3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium.
What is the SMILES notation for 3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
The canonical SMILES for 3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium is CCCCc1ccc(O)c(-c2ccccc2)c1CCCC.O=[P+](O)O[P+](=O)O.
What is the InChIKey of 3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
The InChIKey is IPJNPEQMQURNSQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H26O.O5P2/c1-3-5-10-16-14-15-19(21)20(18(16)13-6-4-2)17-11-8-7-9-12-17;1-6(2)5-7(3)4/h7-9,11-12,14-15,21H,3-6,10,13H2,1-2H3;/p+2.
What are the key properties of 3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium has a molecular weight of 426.39 g/mol, XLogP of 6.05, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium is sourced from PubChem (CID 87504446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).