2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid

C16H17O5P — CID 158628766

IUPAC2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid
SMILESCP(=O)(OCc1ccccc1)Oc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H17O5P/c1-22(19,20-12-14-5-3-2-4-6-14)21-15-9-7-13(8-10-15)11-16(17)18/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyYCFLKWLCEAEYRN-UHFFFAOYSA-N
MW320.28 g/mol
LogP3.73
Rot. Bonds7

About 2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid

2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid (PubChem CID 158628766) has the molecular formula C16H17O5P and a molecular weight of 320.28 g/mol. Its IUPAC name is 2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid
PubChem CID158628766
Molecular FormulaC16H17O5P
Molecular Weight320.28 g/mol
Exact Mass320.08
IUPAC Name2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid
SMILESCP(=O)(OCc1ccccc1)Oc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H17O5P/c1-22(19,20-12-14-5-3-2-4-6-14)21-15-9-7-13(8-10-15)11-16(17)18/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyYCFLKWLCEAEYRN-UHFFFAOYSA-N
XLogP3.73
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic 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

[4-bis(phenylmethoxy)phosphoryloxyphenyl] acetate
CID 163952948
2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
CID 102939339
formaldehyde;2-phenylacetic acid
CID 70638018
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
1-[methyl(phenylmethoxy)phosphoryl]ethanone
CID 118298808
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158
chloro hypochlorite;2-phenylacetic acid
CID 174297587
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid?
The IUPAC name of 2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid (CID 158628766) is 2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid?
The canonical SMILES for 2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid is CP(=O)(OCc1ccccc1)Oc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid?
The InChIKey is YCFLKWLCEAEYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O5P/c1-22(19,20-12-14-5-3-2-4-6-14)21-15-9-7-13(8-10-15)11-16(17)18/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of 2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid?
2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid has a molecular weight of 320.28 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid is sourced from PubChem (CID 158628766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).