methyl(1-phenylethoxy)phosphinic acid

C9H13O3P — CID 154330211

IUPACmethyl(1-phenylethoxy)phosphinic acid
SMILESCC(OP(C)(=O)O)c1ccccc1
InChIInChI=1S/C9H13O3P/c1-8(12-13(2,10)11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,10,11)
InChIKeyFTMWJWWQKVEKIT-UHFFFAOYSA-N
MW200.17 g/mol
LogP2.58
Rot. Bonds3

About methyl(1-phenylethoxy)phosphinic acid

methyl(1-phenylethoxy)phosphinic acid (PubChem CID 154330211) has the molecular formula C9H13O3P and a molecular weight of 200.17 g/mol. Its IUPAC name is methyl(1-phenylethoxy)phosphinic acid.

Molecular Properties

Compound Namemethyl(1-phenylethoxy)phosphinic acid
PubChem CID154330211
Molecular FormulaC9H13O3P
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Namemethyl(1-phenylethoxy)phosphinic acid
SMILESCC(OP(C)(=O)O)c1ccccc1
InChIInChI=1S/C9H13O3P/c1-8(12-13(2,10)11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,10,11)
InChIKeyFTMWJWWQKVEKIT-UHFFFAOYSA-N
XLogP2.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene
CID 154300726
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
dimethylphosphoryl(phenyl)methanol
CID 58658737
[phenyl(phosphonooxy)methyl] dihydrogen phosphate
CID 141454803
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
[(1S)-1-phenylethyl] methanesulfonate
CID 59868703
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
1-dibenzhydryloxyphosphorylethanol
CID 13148202
1-phenylethyl prop-2-enoate
CID 175321764
[fluoro(phenyl)methyl] dihydrogen phosphate
CID 19734110
(1S)-1-phenylethanol
CID 157125626

Frequently Asked Questions

What is the IUPAC name of methyl(1-phenylethoxy)phosphinic acid?
The IUPAC name of methyl(1-phenylethoxy)phosphinic acid (CID 154330211) is methyl(1-phenylethoxy)phosphinic acid.
What is the SMILES notation for methyl(1-phenylethoxy)phosphinic acid?
The canonical SMILES for methyl(1-phenylethoxy)phosphinic acid is CC(OP(C)(=O)O)c1ccccc1.
What is the InChIKey of methyl(1-phenylethoxy)phosphinic acid?
The InChIKey is FTMWJWWQKVEKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O3P/c1-8(12-13(2,10)11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,10,11).
What are the key properties of methyl(1-phenylethoxy)phosphinic acid?
methyl(1-phenylethoxy)phosphinic acid has a molecular weight of 200.17 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(1-phenylethoxy)phosphinic acid is sourced from PubChem (CID 154330211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).