[3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid

C9H14O3P2 — CID 58810738

IUPAC[3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid
SMILESOCc1cc(CPO)cc(CPO)c1
InChIInChI=1S/C9H14O3P2/c10-4-7-1-8(5-13-11)3-9(2-7)6-14-12/h1-3,10-14H,4-6H2
InChIKeyDMDCPDSMZOOUTP-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.35
Rot. Bonds5

About [3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid

[3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid (PubChem CID 58810738) has the molecular formula C9H14O3P2 and a molecular weight of 232.16 g/mol. Its IUPAC name is [3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid.

Molecular Properties

Compound Name[3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid
PubChem CID58810738
Molecular FormulaC9H14O3P2
Molecular Weight232.16 g/mol
Exact Mass232.04
IUPAC Name[3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid
SMILESOCc1cc(CPO)cc(CPO)c1
InChIInChI=1S/C9H14O3P2/c10-4-7-1-8(5-13-11)3-9(2-7)6-14-12/h1-3,10-14H,4-6H2
InChIKeyDMDCPDSMZOOUTP-UHFFFAOYSA-N
XLogP1.35
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid?
The IUPAC name of [3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid (CID 58810738) is [3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid.
What is the SMILES notation for [3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid?
The canonical SMILES for [3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid is OCc1cc(CPO)cc(CPO)c1.
What is the InChIKey of [3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid?
The InChIKey is DMDCPDSMZOOUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3P2/c10-4-7-1-8(5-13-11)3-9(2-7)6-14-12/h1-3,10-14H,4-6H2.
What are the key properties of [3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid?
[3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid has a molecular weight of 232.16 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid is sourced from PubChem (CID 58810738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).