dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane

C16H16O6P2-4 — CID 56947056

IUPACdioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane
SMILESO=P([O-])([O-])C(CCCc1ccc(-c2ccccc2)cc1)P(=O)([O-])[O-]
InChIInChI=1S/C16H20O6P2/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22)/p-4
InChIKeyUQVFFWAGEQWWMP-UHFFFAOYSA-J
MW366.25 g/mol
LogP0.83
Rot. Bonds7

About dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane

dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane (PubChem CID 56947056) has the molecular formula C16H16O6P2-4 and a molecular weight of 366.25 g/mol. Its IUPAC name is dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane.

Molecular Properties

Compound Namedioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane
PubChem CID56947056
Molecular FormulaC16H16O6P2-4
Molecular Weight366.25 g/mol
Exact Mass366.04
IUPAC Namedioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane
SMILESO=P([O-])([O-])C(CCCc1ccc(-c2ccccc2)cc1)P(=O)([O-])[O-]
InChIInChI=1S/C16H20O6P2/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22)/p-4
InChIKeyUQVFFWAGEQWWMP-UHFFFAOYSA-J
XLogP0.83
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane?
The IUPAC name of dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane (CID 56947056) is dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane.
What is the SMILES notation for dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane?
The canonical SMILES for dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane is O=P([O-])([O-])C(CCCc1ccc(-c2ccccc2)cc1)P(=O)([O-])[O-].
What is the InChIKey of dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane?
The InChIKey is UQVFFWAGEQWWMP-UHFFFAOYSA-J. The full InChI is InChI=1S/C16H20O6P2/c17-23(18,19)16(24(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H2,17,18,19)(H2,20,21,22)/p-4.
What are the key properties of dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane?
dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane has a molecular weight of 366.25 g/mol, XLogP of 0.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-oxo-[4-(4-phenylphenyl)-1-phosphonatobutyl]-λ5-phosphane is sourced from PubChem (CID 56947056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).