[3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid

C15H16NO7P — CID 54173444

IUPAC[3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid
SMILESCC(C(=O)c1c(O)cc(O)cc1NP(=O)(O)O)c1cccc(O)c1
InChIInChI=1S/C15H16NO7P/c1-8(9-3-2-4-10(17)5-9)15(20)14-12(16-24(21,22)23)6-11(18)7-13(14)19/h2-8,17-19H,1H3,(H3,16,21,22,23)
InChIKeyOWPNXXPYPPMHMP-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.29
Rot. Bonds5

About [3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid

[3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid (PubChem CID 54173444) has the molecular formula C15H16NO7P and a molecular weight of 353.27 g/mol. Its IUPAC name is [3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid.

Molecular Properties

Compound Name[3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid
PubChem CID54173444
Molecular FormulaC15H16NO7P
Molecular Weight353.27 g/mol
Exact Mass353.07
IUPAC Name[3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid
SMILESCC(C(=O)c1c(O)cc(O)cc1NP(=O)(O)O)c1cccc(O)c1
InChIInChI=1S/C15H16NO7P/c1-8(9-3-2-4-10(17)5-9)15(20)14-12(16-24(21,22)23)6-11(18)7-13(14)19/h2-8,17-19H,1H3,(H3,16,21,22,23)
InChIKeyOWPNXXPYPPMHMP-UHFFFAOYSA-N
XLogP2.29
TPSA147.32 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.27
LogP ≤ 52.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-hydroxy-2-[2-(3-hydroxyphenyl)butyl]anilino]phosphonic acid
CID 57144956
[4-hydroxy-2-[3-(3-hydroxyphenyl)butanoyl]anilino]phosphonic acid
CID 54294496
2-[3-(3-hydroxyphenyl)phenyl]propanoic acid
CID 176514338
3,5-diamino-N-[2-[2-(3-hydroxyphenyl)propanoylamino]ethyl]benzamide
CID 19026210
[[3-hydroxy-6-[2-(3-hydroxyphenyl)propyl]-5-oxocyclohexa-1,3-dien-1-yl]amino]phosphonic acid
CID 22673757
[3,5-dihydroxy-2-[1-hydroxy-2-(3-hydroxyphenyl)propyl]phenyl] dihydrogen phosphate
CID 22674028
[3-hydroxy-2-[3-(3-hydroxyphenyl)butanoyl]phenyl]sulfanylphosphonic acid
CID 22673625
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
[4-hydroxy-2-[3-(3-hydroxyphenyl)butanoyl]phenyl]phosphonic acid
CID 57153076
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
3-(1-hydroxyethyl)phenol;methanesulfonic acid
CID 174877430
benzene-1,3-diol;phosphoric acid
CID 66603395

Frequently Asked Questions

What is the IUPAC name of [3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid?
The IUPAC name of [3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid (CID 54173444) is [3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid.
What is the SMILES notation for [3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid?
The canonical SMILES for [3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid is CC(C(=O)c1c(O)cc(O)cc1NP(=O)(O)O)c1cccc(O)c1.
What is the InChIKey of [3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid?
The InChIKey is OWPNXXPYPPMHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16NO7P/c1-8(9-3-2-4-10(17)5-9)15(20)14-12(16-24(21,22)23)6-11(18)7-13(14)19/h2-8,17-19H,1H3,(H3,16,21,22,23).
What are the key properties of [3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid?
[3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid has a molecular weight of 353.27 g/mol, XLogP of 2.29, 5 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dihydroxy-2-[2-(3-hydroxyphenyl)propanoyl]anilino]phosphonic acid is sourced from PubChem (CID 54173444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).