2-phenylethyl(phenylmethoxy)phosphinic acid

C15H17O3P — CID 54325821

IUPAC2-phenylethyl(phenylmethoxy)phosphinic acid
SMILESO=P(O)(CCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H17O3P/c16-19(17,12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,16,17)
InChIKeySUVLKHVQWMWKAP-UHFFFAOYSA-N
MW276.27 g/mol
LogP3.63
Rot. Bonds6

About 2-phenylethyl(phenylmethoxy)phosphinic acid

2-phenylethyl(phenylmethoxy)phosphinic acid (PubChem CID 54325821) has the molecular formula C15H17O3P and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-phenylethyl(phenylmethoxy)phosphinic acid.

Molecular Properties

Compound Name2-phenylethyl(phenylmethoxy)phosphinic acid
PubChem CID54325821
Molecular FormulaC15H17O3P
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name2-phenylethyl(phenylmethoxy)phosphinic acid
SMILESO=P(O)(CCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H17O3P/c16-19(17,12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,16,17)
InChIKeySUVLKHVQWMWKAP-UHFFFAOYSA-N
XLogP3.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 53.63
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

butoxy(2-phenylethyl)phosphinic acid
CID 150976148
2-bromoethoxy(2-phenylethyl)phosphinic acid
CID 174777902
[2-phenylethyl(phenylmethoxy)phosphoryl] acetate
CID 88790998
dibenzyl hydrogen phosphate;silver
CID 85301331
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
[(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid
CID 139947168
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
2-diethoxyphosphorylethylbenzene
CID 3448525
benzyl tert-butyl hydrogen phosphate
CID 140989025
sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid
CID 174747864
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl(phenylmethoxy)phosphinic acid?
The IUPAC name of 2-phenylethyl(phenylmethoxy)phosphinic acid (CID 54325821) is 2-phenylethyl(phenylmethoxy)phosphinic acid.
What is the SMILES notation for 2-phenylethyl(phenylmethoxy)phosphinic acid?
The canonical SMILES for 2-phenylethyl(phenylmethoxy)phosphinic acid is O=P(O)(CCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 2-phenylethyl(phenylmethoxy)phosphinic acid?
The InChIKey is SUVLKHVQWMWKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O3P/c16-19(17,12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,16,17).
What are the key properties of 2-phenylethyl(phenylmethoxy)phosphinic acid?
2-phenylethyl(phenylmethoxy)phosphinic acid has a molecular weight of 276.27 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl(phenylmethoxy)phosphinic acid is sourced from PubChem (CID 54325821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).