[hydroxy-(3-phenylphenyl)methyl]phosphonic acid

C13H13O4P — CID 117062320

IUPAC[hydroxy-(3-phenylphenyl)methyl]phosphonic acid
SMILESO=P(O)(O)C(O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H13O4P/c14-13(18(15,16)17)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13-14H,(H2,15,16,17)
InChIKeyMLWRWTBRBXOTSK-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.52
Rot. Bonds3

About [hydroxy-(3-phenylphenyl)methyl]phosphonic acid

[hydroxy-(3-phenylphenyl)methyl]phosphonic acid (PubChem CID 117062320) has the molecular formula C13H13O4P and a molecular weight of 264.22 g/mol. Its IUPAC name is [hydroxy-(3-phenylphenyl)methyl]phosphonic acid.

Molecular Properties

Compound Name[hydroxy-(3-phenylphenyl)methyl]phosphonic acid
PubChem CID117062320
Molecular FormulaC13H13O4P
Molecular Weight264.22 g/mol
Exact Mass264.06
IUPAC Name[hydroxy-(3-phenylphenyl)methyl]phosphonic acid
SMILESO=P(O)(O)C(O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H13O4P/c14-13(18(15,16)17)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13-14H,(H2,15,16,17)
InChIKeyMLWRWTBRBXOTSK-UHFFFAOYSA-N
XLogP2.52
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hydroxy-(3-phenylphenyl)methyl]phosphonic acid?
The IUPAC name of [hydroxy-(3-phenylphenyl)methyl]phosphonic acid (CID 117062320) is [hydroxy-(3-phenylphenyl)methyl]phosphonic acid.
What is the SMILES notation for [hydroxy-(3-phenylphenyl)methyl]phosphonic acid?
The canonical SMILES for [hydroxy-(3-phenylphenyl)methyl]phosphonic acid is O=P(O)(O)C(O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of [hydroxy-(3-phenylphenyl)methyl]phosphonic acid?
The InChIKey is MLWRWTBRBXOTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O4P/c14-13(18(15,16)17)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13-14H,(H2,15,16,17).
What are the key properties of [hydroxy-(3-phenylphenyl)methyl]phosphonic acid?
[hydroxy-(3-phenylphenyl)methyl]phosphonic acid has a molecular weight of 264.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-(3-phenylphenyl)methyl]phosphonic acid is sourced from PubChem (CID 117062320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).