3-bis(phenylmethoxy)phosphorylpropanoic acid

C17H19O5P — CID 46223844

IUPAC3-bis(phenylmethoxy)phosphorylpropanoic acid
SMILESO=C(O)CCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19O5P/c18-17(19)11-12-23(20,21-13-15-7-3-1-4-8-15)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeyWCSXCHGBVSQCMB-UHFFFAOYSA-N
MW334.31 g/mol
LogP4.09
Rot. Bonds9

About 3-bis(phenylmethoxy)phosphorylpropanoic acid

3-bis(phenylmethoxy)phosphorylpropanoic acid (PubChem CID 46223844) has the molecular formula C17H19O5P and a molecular weight of 334.31 g/mol. Its IUPAC name is 3-bis(phenylmethoxy)phosphorylpropanoic acid.

Molecular Properties

Compound Name3-bis(phenylmethoxy)phosphorylpropanoic acid
PubChem CID46223844
Molecular FormulaC17H19O5P
Molecular Weight334.31 g/mol
Exact Mass334.10
IUPAC Name3-bis(phenylmethoxy)phosphorylpropanoic acid
SMILESO=C(O)CCP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19O5P/c18-17(19)11-12-23(20,21-13-15-7-3-1-4-8-15)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeyWCSXCHGBVSQCMB-UHFFFAOYSA-N
XLogP4.09
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bis(phenylmethoxy)phosphorylbutan-1-ol
CID 170700837
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
benzyl 2-bis(phenylmethoxy)phosphorylacetate
CID 87986424
[2-phenylethyl(phenylmethoxy)phosphoryl] acetate
CID 88790998
dibenzyl hydrogen phosphate;silver
CID 85301331
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
2-[2-[5-[2-[2-[3-bis(phenylmethoxy)phosphorylpropanoylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid
CID 163945395
[but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 71417020
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
2-[[hydroxy(phenylmethoxy)phosphoryl]methyl]pentanedioic acid
CID 10448434

Frequently Asked Questions

What is the IUPAC name of 3-bis(phenylmethoxy)phosphorylpropanoic acid?
The IUPAC name of 3-bis(phenylmethoxy)phosphorylpropanoic acid (CID 46223844) is 3-bis(phenylmethoxy)phosphorylpropanoic acid.
What is the SMILES notation for 3-bis(phenylmethoxy)phosphorylpropanoic acid?
The canonical SMILES for 3-bis(phenylmethoxy)phosphorylpropanoic acid is O=C(O)CCP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 3-bis(phenylmethoxy)phosphorylpropanoic acid?
The InChIKey is WCSXCHGBVSQCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O5P/c18-17(19)11-12-23(20,21-13-15-7-3-1-4-8-15)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19).
What are the key properties of 3-bis(phenylmethoxy)phosphorylpropanoic acid?
3-bis(phenylmethoxy)phosphorylpropanoic acid has a molecular weight of 334.31 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bis(phenylmethoxy)phosphorylpropanoic acid is sourced from PubChem (CID 46223844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).