3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid

C10H13O4P — CID 19011091

IUPAC3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid
SMILESCc1ccc(P(=O)(O)CCC(=O)O)cc1
InChIInChI=1S/C10H13O4P/c1-8-2-4-9(5-3-8)15(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyZJPIRJDIPFYVAW-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.37
Rot. Bonds4

About 3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid

3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid (PubChem CID 19011091) has the molecular formula C10H13O4P and a molecular weight of 228.18 g/mol. Its IUPAC name is 3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid.

Molecular Properties

Compound Name3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid
PubChem CID19011091
Molecular FormulaC10H13O4P
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid
SMILESCc1ccc(P(=O)(O)CCC(=O)O)cc1
InChIInChI=1S/C10H13O4P/c1-8-2-4-9(5-3-8)15(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyZJPIRJDIPFYVAW-UHFFFAOYSA-N
XLogP1.37
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.37
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

ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 90760124
3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium
CID 175321703
3-[(4-butylphenyl)-hydroxyphosphoryl]propanoic acid
CID 19011083
2,2-bis(hydroxymethyl)propane-1,3-diol;3-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 174529163
2-ethoxyethyl-(4-methylphenyl)phosphinic acid
CID 118860001
3-[2-carboxyethyl-(2,4-dimethylphenyl)phosphoryl]propanoic acid
CID 54487062
3-[hydroxy-(4-methylphenoxy)phosphoryl]oxypropanoic acid
CID 175308769
dodecanedioic acid;1,4-xylene
CID 66586315
hexanoic acid;1,4-xylene
CID 23205671
carbonic acid;1,4-xylene
CID 89415214
3-[butanoyl-[(4-methylphenyl)methyl]amino]propanoic acid
CID 82323385
N-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid
CID 159468438

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid?
The IUPAC name of 3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid (CID 19011091) is 3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid.
What is the SMILES notation for 3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid?
The canonical SMILES for 3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid is Cc1ccc(P(=O)(O)CCC(=O)O)cc1.
What is the InChIKey of 3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid?
The InChIKey is ZJPIRJDIPFYVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O4P/c1-8-2-4-9(5-3-8)15(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid?
3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid has a molecular weight of 228.18 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid is sourced from PubChem (CID 19011091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).