[(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid

C16H19O4P — CID 172834538

IUPAC[(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid
SMILESC[C@H](CP(=O)(O)O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H19O4P/c1-13(12-21(17,18)19)15-8-5-9-16(10-15)20-11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H2,17,18,19)/t13-/m1/s1
InChIKeyVYYSAYHDDOSDGG-CYBMUJFWSA-N
MW306.30 g/mol
LogP3.55
Rot. Bonds6

About [(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid

[(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid (PubChem CID 172834538) has the molecular formula C16H19O4P and a molecular weight of 306.30 g/mol. Its IUPAC name is [(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid.

Molecular Properties

Compound Name[(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid
PubChem CID172834538
Molecular FormulaC16H19O4P
Molecular Weight306.30 g/mol
Exact Mass306.10
IUPAC Name[(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid
SMILESC[C@H](CP(=O)(O)O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H19O4P/c1-13(12-21(17,18)19)15-8-5-9-16(10-15)20-11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H2,17,18,19)/t13-/m1/s1
InChIKeyVYYSAYHDDOSDGG-CYBMUJFWSA-N
XLogP3.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.55
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

[(2R)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid
CID 172834539
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
(S)-diethoxyphosphoryl-(3-phenylmethoxyphenyl)methanamine
CID 171191904
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid
CID 71623405
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
(3,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methanol
CID 69204493
(1S)-3-methyl-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230868
2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde
CID 87552555
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932
2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid
CID 67882455

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid?
The IUPAC name of [(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid (CID 172834538) is [(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid.
What is the SMILES notation for [(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid?
The canonical SMILES for [(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid is C[C@H](CP(=O)(O)O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of [(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid?
The InChIKey is VYYSAYHDDOSDGG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19O4P/c1-13(12-21(17,18)19)15-8-5-9-16(10-15)20-11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H2,17,18,19)/t13-/m1/s1.
What are the key properties of [(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid?
[(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid has a molecular weight of 306.30 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid is sourced from PubChem (CID 172834538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).