[(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid

C16H17O2P — CID 67362015

IUPAC[(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid
SMILESO=P(O)(/C=C/c1ccccc1)CCc1ccccc1
InChIInChI=1S/C16H17O2P/c17-19(18,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-11,13H,12,14H2,(H,17,18)/b13-11+
InChIKeyIHQXBTCXXVUPTJ-ACCUITESSA-N
MW272.28 g/mol
LogP4.17
Rot. Bonds5

About [(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid

[(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid (PubChem CID 67362015) has the molecular formula C16H17O2P and a molecular weight of 272.28 g/mol. Its IUPAC name is [(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid.

Molecular Properties

Compound Name[(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid
PubChem CID67362015
Molecular FormulaC16H17O2P
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name[(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid
SMILESO=P(O)(/C=C/c1ccccc1)CCc1ccccc1
InChIInChI=1S/C16H17O2P/c17-19(18,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-11,13H,12,14H2,(H,17,18)/b13-11+
InChIKeyIHQXBTCXXVUPTJ-ACCUITESSA-N
XLogP4.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethenyl(propyl)phosphinic acid
CID 67363439
2-dichlorophosphorylethylbenzene
CID 15169214
lithium hydroxy(2-phenylethenyl)phosphinate
CID 162120462
[hydroxy(2-phenylethyl)phosphoryl]formic acid
CID 69405500
2-phenylethenyl(propan-2-yl)phosphinic acid
CID 67362871
2-bromoethyl(2-phenylethyl)phosphinic acid
CID 11087049
2-aminoethyl(2-phenylethyl)phosphinic acid
CID 949642
[(E)-but-2-enyl]-(2-phenylethyl)phosphinic acid
CID 67394631
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane
CID 118537099
2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104
butyl(2-phenylethyl)phosphinic acid;iron
CID 159791741

Frequently Asked Questions

What is the IUPAC name of [(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid?
The IUPAC name of [(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid (CID 67362015) is [(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid.
What is the SMILES notation for [(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid?
The canonical SMILES for [(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid is O=P(O)(/C=C/c1ccccc1)CCc1ccccc1.
What is the InChIKey of [(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid?
The InChIKey is IHQXBTCXXVUPTJ-ACCUITESSA-N. The full InChI is InChI=1S/C16H17O2P/c17-19(18,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-11,13H,12,14H2,(H,17,18)/b13-11+.
What are the key properties of [(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid?
[(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid has a molecular weight of 272.28 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid is sourced from PubChem (CID 67362015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).