bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid

C16H19O4P — CID 73235896

IUPACbis[hydroxy-(2-methylphenyl)methyl]phosphinic acid
SMILESCc1ccccc1C(O)P(=O)(O)C(O)c1ccccc1C
InChIInChI=1S/C16H19O4P/c1-11-7-3-5-9-13(11)15(17)21(19,20)16(18)14-10-6-4-8-12(14)2/h3-10,15-18H,1-2H3,(H,19,20)
InChIKeyYYYJERZPCWWDBT-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.26
Rot. Bonds4

About bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid

bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid (PubChem CID 73235896) has the molecular formula C16H19O4P and a molecular weight of 306.30 g/mol. Its IUPAC name is bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid.

Molecular Properties

Compound Namebis[hydroxy-(2-methylphenyl)methyl]phosphinic acid
PubChem CID73235896
Molecular FormulaC16H19O4P
Molecular Weight306.30 g/mol
Exact Mass306.10
IUPAC Namebis[hydroxy-(2-methylphenyl)methyl]phosphinic acid
SMILESCc1ccccc1C(O)P(=O)(O)C(O)c1ccccc1C
InChIInChI=1S/C16H19O4P/c1-11-7-3-5-9-13(11)15(17)21(19,20)16(18)14-10-6-4-8-12(14)2/h3-10,15-18H,1-2H3,(H,19,20)
InChIKeyYYYJERZPCWWDBT-UHFFFAOYSA-N
XLogP3.26
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy-(2-methylphenyl)methyl]phosphonic acid
CID 130670017
2-hydroxy-2-(2-methylphenyl)acetaldehyde
CID 22607874
acetic acid;(2-methylphenyl)methanediol
CID 71361235
1-amino-1-(2-methylphenyl)propan-2-one
CID 55295097
1-hydroxy-3-methyl-1-(2-methylphenyl)butan-2-one
CID 59036554
2-hydroxy-4-(2-methylphenyl)pentan-3-one
CID 66769752
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
1-(2-methylphenyl)-2-methylsulfonylbutan-1-ol
CID 102550150
(2-methylphenyl)-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)methanol
CID 134977791
4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 51175514
1-(2-hydroxyphenyl)ethylphosphonic acid
CID 165144464
(1R)-1-(2-methylphenyl)prop-2-en-1-ol
CID 102103795

Frequently Asked Questions

What is the IUPAC name of bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid?
The IUPAC name of bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid (CID 73235896) is bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid.
What is the SMILES notation for bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid?
The canonical SMILES for bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid is Cc1ccccc1C(O)P(=O)(O)C(O)c1ccccc1C.
What is the InChIKey of bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid?
The InChIKey is YYYJERZPCWWDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O4P/c1-11-7-3-5-9-13(11)15(17)21(19,20)16(18)14-10-6-4-8-12(14)2/h3-10,15-18H,1-2H3,(H,19,20).
What are the key properties of bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid?
bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid has a molecular weight of 306.30 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid is sourced from PubChem (CID 73235896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).