[2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid

C30H32O8P2 — CID 3354156

IUPAC[2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid
SMILESO=P(O)(c1ccccc1)c1ccccc1OCCOCCOCCOc1ccccc1P(=O)(O)c1ccccc1
InChIInChI=1S/C30H32O8P2/c31-39(32,25-11-3-1-4-12-25)29-17-9-7-15-27(29)37-23-21-35-19-20-36-22-24-38-28-16-8-10-18-30(28)40(33,34)26-13-5-2-6-14-26/h1-18H,19-24H2,(H,31,32)(H,33,34)
InChIKeyWFPAUELIGQVCFS-UHFFFAOYSA-N
MW582.53 g/mol
LogP3.62
Rot. Bonds15

About [2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid

[2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid (PubChem CID 3354156) has the molecular formula C30H32O8P2 and a molecular weight of 582.53 g/mol. Its IUPAC name is [2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid.

Molecular Properties

Compound Name[2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid
PubChem CID3354156
Molecular FormulaC30H32O8P2
Molecular Weight582.53 g/mol
Exact Mass582.16
IUPAC Name[2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid
SMILESO=P(O)(c1ccccc1)c1ccccc1OCCOCCOCCOc1ccccc1P(=O)(O)c1ccccc1
InChIInChI=1S/C30H32O8P2/c31-39(32,25-11-3-1-4-12-25)29-17-9-7-15-27(29)37-23-21-35-19-20-36-22-24-38-28-16-8-10-18-30(28)40(33,34)26-13-5-2-6-14-26/h1-18H,19-24H2,(H,31,32)(H,33,34)
InChIKeyWFPAUELIGQVCFS-UHFFFAOYSA-N
XLogP3.62
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 [2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid?
The IUPAC name of [2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid (CID 3354156) is [2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid.
What is the SMILES notation for [2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid?
The canonical SMILES for [2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid is O=P(O)(c1ccccc1)c1ccccc1OCCOCCOCCOc1ccccc1P(=O)(O)c1ccccc1.
What is the InChIKey of [2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid?
The InChIKey is WFPAUELIGQVCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O8P2/c31-39(32,25-11-3-1-4-12-25)29-17-9-7-15-27(29)37-23-21-35-19-20-36-22-24-38-28-16-8-10-18-30(28)40(33,34)26-13-5-2-6-14-26/h1-18H,19-24H2,(H,31,32)(H,33,34).
What are the key properties of [2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid?
[2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid has a molecular weight of 582.53 g/mol, XLogP of 3.62, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid is sourced from PubChem (CID 3354156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).