3-[methoxy(phenyl)phosphoryl]propanoic acid

C10H13O4P — CID 141176838

IUPAC3-[methoxy(phenyl)phosphoryl]propanoic acid
SMILESCOP(=O)(CCC(=O)O)c1ccccc1
InChIInChI=1S/C10H13O4P/c1-14-15(13,8-7-10(11)12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
InChIKeyDGRFJRPWGMOUTG-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.71
Rot. Bonds5

About 3-[methoxy(phenyl)phosphoryl]propanoic acid

3-[methoxy(phenyl)phosphoryl]propanoic acid (PubChem CID 141176838) has the molecular formula C10H13O4P and a molecular weight of 228.18 g/mol. Its IUPAC name is 3-[methoxy(phenyl)phosphoryl]propanoic acid.

Molecular Properties

Compound Name3-[methoxy(phenyl)phosphoryl]propanoic acid
PubChem CID141176838
Molecular FormulaC10H13O4P
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name3-[methoxy(phenyl)phosphoryl]propanoic acid
SMILESCOP(=O)(CCC(=O)O)c1ccccc1
InChIInChI=1S/C10H13O4P/c1-14-15(13,8-7-10(11)12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
InChIKeyDGRFJRPWGMOUTG-UHFFFAOYSA-N
XLogP1.71
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-bromoethyl(methoxy)phosphoryl]benzene
CID 101393723
butyl 3-[methoxy(phenyl)phosphoryl]propanoate
CID 139662468
ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 90760124
[chloromethyl(methoxy)phosphoryl]benzene
CID 59938019
3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium
CID 175321703
3-[ethoxy(phenyl)phosphoryl]propanamide
CID 132529059
ethyl 3-[ethoxy(phenyl)phosphoryl]propanoate
CID 19708049
3-[methoxy(methyl)phosphoryl]propanoic acid
CID 87778211
2,2-bis(hydroxymethyl)propane-1,3-diol;3-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 174529163
potassium (3-methoxy-3-oxopropyl)-phenylphosphinate
CID 175322070
[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride
CID 174937208
cis-(1S,2R)-2-ethyl-1-[2-[methoxy(phenyl)phosphoryl]ethyl]-N,N-dimethylcyclopropan-1-amine
CID 101016688

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(phenyl)phosphoryl]propanoic acid?
The IUPAC name of 3-[methoxy(phenyl)phosphoryl]propanoic acid (CID 141176838) is 3-[methoxy(phenyl)phosphoryl]propanoic acid.
What is the SMILES notation for 3-[methoxy(phenyl)phosphoryl]propanoic acid?
The canonical SMILES for 3-[methoxy(phenyl)phosphoryl]propanoic acid is COP(=O)(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[methoxy(phenyl)phosphoryl]propanoic acid?
The InChIKey is DGRFJRPWGMOUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O4P/c1-14-15(13,8-7-10(11)12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12).
What are the key properties of 3-[methoxy(phenyl)phosphoryl]propanoic acid?
3-[methoxy(phenyl)phosphoryl]propanoic acid has a molecular weight of 228.18 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(phenyl)phosphoryl]propanoic acid is sourced from PubChem (CID 141176838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).