[(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid

C9H13O4P — CID 23660289

IUPAC[(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid
SMILESO=P(O)(O)[C@@H](CCO)c1ccccc1
InChIInChI=1S/C9H13O4P/c10-7-6-9(14(11,12)13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,11,12,13)/t9-/m0/s1
InChIKeyCTDVGEWMMHQVLF-VIFPVBQESA-N
MW216.17 g/mol
LogP1.29
Rot. Bonds4

About [(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid

[(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid (PubChem CID 23660289) has the molecular formula C9H13O4P and a molecular weight of 216.17 g/mol. Its IUPAC name is [(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid.

Molecular Properties

Compound Name[(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid
PubChem CID23660289
Molecular FormulaC9H13O4P
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name[(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid
SMILESO=P(O)(O)[C@@H](CCO)c1ccccc1
InChIInChI=1S/C9H13O4P/c10-7-6-9(14(11,12)13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,11,12,13)/t9-/m0/s1
InChIKeyCTDVGEWMMHQVLF-VIFPVBQESA-N
XLogP1.29
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1S)-3-hydroxy-1-phenylpropyl]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

ethyl-(3-hydroxy-1-phenylpropyl)phosphinic acid;titanium
CID 86657313
(2-chloro-1-phenylethyl)phosphonic acid
CID 172736254
[4-(2-fluorophenyl)-1-phenylbutyl]phosphonic acid
CID 66796239
[4-[ethyl(hydroxy)amino]-4-oxo-1-phenylbutyl]phosphonic acid
CID 54758042
(2R,3R)-2,3-diphenylpentane-1,5-diol
CID 102125969
1-phenylpropane-1,3-diol
CID 572059
(3-amino-1-phenylpropyl)-ethylphosphinic acid
CID 46216560
1-phenylpropane-1,3-diol;hydrobromide
CID 68975268
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
[bromo(phenyl)methyl]phosphonic acid
CID 11736830
[3-(4-methyl-3-oxo-6H-oxazin-2-yl)-1-phenylpropyl]phosphonic acid
CID 24815019
[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride
CID 138987682

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid?
The IUPAC name of [(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid (CID 23660289) is [(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid.
What is the SMILES notation for [(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid?
The canonical SMILES for [(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid is O=P(O)(O)[C@@H](CCO)c1ccccc1.
What is the InChIKey of [(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid?
The InChIKey is CTDVGEWMMHQVLF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13O4P/c10-7-6-9(14(11,12)13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,11,12,13)/t9-/m0/s1.
What are the key properties of [(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid?
[(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid has a molecular weight of 216.17 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid is sourced from PubChem (CID 23660289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).