[3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid

C20H20O4P2 — CID 11773578

IUPAC[3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid
SMILESO=P(O)(Cc1cccc(CP(=O)(O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C20H20O4P2/c21-25(22,19-10-3-1-4-11-19)15-17-8-7-9-18(14-17)16-26(23,24)20-12-5-2-6-13-20/h1-14H,15-16H2,(H,21,22)(H,23,24)
InChIKeyRSOMXZARYPZNDW-UHFFFAOYSA-N
MW386.32 g/mol
LogP3.88
Rot. Bonds6

About [3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid

[3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid (PubChem CID 11773578) has the molecular formula C20H20O4P2 and a molecular weight of 386.32 g/mol. Its IUPAC name is [3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid.

Molecular Properties

Compound Name[3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid
PubChem CID11773578
Molecular FormulaC20H20O4P2
Molecular Weight386.32 g/mol
Exact Mass386.08
IUPAC Name[3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid
SMILESO=P(O)(Cc1cccc(CP(=O)(O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C20H20O4P2/c21-25(22,19-10-3-1-4-11-19)15-17-8-7-9-18(14-17)16-26(23,24)20-12-5-2-6-13-20/h1-14H,15-16H2,(H,21,22)(H,23,24)
InChIKeyRSOMXZARYPZNDW-UHFFFAOYSA-N
XLogP3.88
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphinic acid chloride
CID 53401992
(4-nitrophenyl)methyl-phenylphosphinic acid
CID 10446198
(2-aminophenyl)methyl-phenylphosphinic acid
CID 13270423
1-bromo-3-(diphenylphosphorylmethyl)benzene
CID 172848194
(4-ethylphenyl)-phenylphosphinic acid
CID 141028153
benzylbenzene;phosphoric acid
CID 161249494
[3-(aminomethyl)phenyl]methanamine;phenol;phosphoric acid
CID 67041954
2-methylpropyl(phenyl)phosphinic acid
CID 793404
3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium
CID 175321703
(3-fluorophenyl)methylphosphonic acid
CID 14926087
anilinomethyl(phenyl)phosphinic acid
CID 134996335
(3-aminophenyl)methylphosphonic acid
CID 15930816

Frequently Asked Questions

What is the IUPAC name of [3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid?
The IUPAC name of [3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid (CID 11773578) is [3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid.
What is the SMILES notation for [3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid?
The canonical SMILES for [3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid is O=P(O)(Cc1cccc(CP(=O)(O)c2ccccc2)c1)c1ccccc1.
What is the InChIKey of [3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid?
The InChIKey is RSOMXZARYPZNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4P2/c21-25(22,19-10-3-1-4-11-19)15-17-8-7-9-18(14-17)16-26(23,24)20-12-5-2-6-13-20/h1-14H,15-16H2,(H,21,22)(H,23,24).
What are the key properties of [3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid?
[3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid has a molecular weight of 386.32 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid is sourced from PubChem (CID 11773578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).