2-phenylethenyl(propyl)phosphinic acid

C11H15O2P — CID 67363439

IUPAC2-phenylethenyl(propyl)phosphinic acid
SMILESCCCP(=O)(O)C=Cc1ccccc1
InChIInChI=1S/C11H15O2P/c1-2-9-14(12,13)10-8-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,12,13)
InChIKeyDZVCZUIAGFTETF-UHFFFAOYSA-N
MW210.21 g/mol
LogP3.34
Rot. Bonds4

About 2-phenylethenyl(propyl)phosphinic acid

2-phenylethenyl(propyl)phosphinic acid (PubChem CID 67363439) has the molecular formula C11H15O2P and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-phenylethenyl(propyl)phosphinic acid.

Molecular Properties

Compound Name2-phenylethenyl(propyl)phosphinic acid
PubChem CID67363439
Molecular FormulaC11H15O2P
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name2-phenylethenyl(propyl)phosphinic acid
SMILESCCCP(=O)(O)C=Cc1ccccc1
InChIInChI=1S/C11H15O2P/c1-2-9-14(12,13)10-8-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,12,13)
InChIKeyDZVCZUIAGFTETF-UHFFFAOYSA-N
XLogP3.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 53.34
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

[(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid
CID 67362015
2-phenylethenyl(propan-2-yl)phosphinic acid
CID 67362871
lithium hydroxy(2-phenylethenyl)phosphinate
CID 162120462
oct-1-enylbenzene;phosphoric acid
CID 159316508
acetic acid;stilbene
CID 172803728
1-[(E)-2-phenylethenyl]-3-propylurea
CID 108903089
2-[bis(2-methylpropyl)phosphoryl]ethenylbenzene
CID 154205626
3-[(E)-2-phenylethenyl]-N-propylbenzamide
CID 67215100
dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane
CID 118537099
ethyl acetate;stilbene
CID 159556390
buta-1,3-dienylbenzene;2-methylprop-2-enoic acid
CID 160671566
ethanol;3-phenylprop-2-enoic acid
CID 158830805

Frequently Asked Questions

What is the IUPAC name of 2-phenylethenyl(propyl)phosphinic acid?
The IUPAC name of 2-phenylethenyl(propyl)phosphinic acid (CID 67363439) is 2-phenylethenyl(propyl)phosphinic acid.
What is the SMILES notation for 2-phenylethenyl(propyl)phosphinic acid?
The canonical SMILES for 2-phenylethenyl(propyl)phosphinic acid is CCCP(=O)(O)C=Cc1ccccc1.
What is the InChIKey of 2-phenylethenyl(propyl)phosphinic acid?
The InChIKey is DZVCZUIAGFTETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O2P/c1-2-9-14(12,13)10-8-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,12,13).
What are the key properties of 2-phenylethenyl(propyl)phosphinic acid?
2-phenylethenyl(propyl)phosphinic acid has a molecular weight of 210.21 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethenyl(propyl)phosphinic acid is sourced from PubChem (CID 67363439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).