[(1S)-1-phenylethyl]phosphonic acid

C8H11O3P — CID 10511745

IUPAC[(1S)-1-phenylethyl]phosphonic acid
SMILESC[C@@H](c1ccccc1)P(=O)(O)O
InChIInChI=1S/C8H11O3P/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,9,10,11)/t7-/m0/s1
InChIKeyXBMUHYIMRYHJBA-ZETCQYMHSA-N
MW186.15 g/mol
LogP1.93
Rot. Bonds2

About [(1S)-1-phenylethyl]phosphonic acid

[(1S)-1-phenylethyl]phosphonic acid (PubChem CID 10511745) has the molecular formula C8H11O3P and a molecular weight of 186.15 g/mol. Its IUPAC name is [(1S)-1-phenylethyl]phosphonic acid.

Molecular Properties

Compound Name[(1S)-1-phenylethyl]phosphonic acid
PubChem CID10511745
Molecular FormulaC8H11O3P
Molecular Weight186.15 g/mol
Exact Mass186.04
IUPAC Name[(1S)-1-phenylethyl]phosphonic acid
SMILESC[C@@H](c1ccccc1)P(=O)(O)O
InChIInChI=1S/C8H11O3P/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,9,10,11)/t7-/m0/s1
InChIKeyXBMUHYIMRYHJBA-ZETCQYMHSA-N
XLogP1.93
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(1S)-1-phenylethyl]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

[(1R)-1-(4-fluorophenyl)ethyl]phosphonic acid
CID 102291812
hydroxy-[(1S)-1-phenylethyl]-sulfanyl-sulfanylidene-λ5-phosphane
CID 88652076
1-(2-hydroxyphenyl)ethylphosphonic acid
CID 165144464
[bromo(phenyl)methyl]phosphonic acid
CID 11736830
dimethylphosphoryl(phenyl)methanol
CID 58658737
(2-oxo-3-phenylbutyl)phosphonic acid
CID 90027390
methyl(1-phenylethoxy)phosphinic acid
CID 154330211
[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride
CID 138987682
1,1-diphenylbutan-2-ylphosphonic acid
CID 173118550
1-dibenzhydryloxyphosphorylethanol
CID 13148202
2-amino-3-[4-(1-phosphonoethyl)phenyl]propanoic acid;hydrochloride
CID 19776350
diphenylmethanamine;phosphoric acid
CID 67153031

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-phenylethyl]phosphonic acid?
The IUPAC name of [(1S)-1-phenylethyl]phosphonic acid (CID 10511745) is [(1S)-1-phenylethyl]phosphonic acid.
What is the SMILES notation for [(1S)-1-phenylethyl]phosphonic acid?
The canonical SMILES for [(1S)-1-phenylethyl]phosphonic acid is C[C@@H](c1ccccc1)P(=O)(O)O.
What is the InChIKey of [(1S)-1-phenylethyl]phosphonic acid?
The InChIKey is XBMUHYIMRYHJBA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11O3P/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,9,10,11)/t7-/m0/s1.
What are the key properties of [(1S)-1-phenylethyl]phosphonic acid?
[(1S)-1-phenylethyl]phosphonic acid has a molecular weight of 186.15 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-phenylethyl]phosphonic acid is sourced from PubChem (CID 10511745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).