2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid

C20H21O3P — CID 155797581

IUPAC2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid
SMILESC=Cc1ccc(CP(=O)(CC(=O)O)Cc2ccc(C=C)cc2)cc1
InChIInChI=1S/C20H21O3P/c1-3-16-5-9-18(10-6-16)13-24(23,15-20(21)22)14-19-11-7-17(4-2)8-12-19/h3-12H,1-2,13-15H2,(H,21,22)
InChIKeyHGOBFXDJORZZHU-UHFFFAOYSA-N
MW340.36 g/mol
LogP5.12
Rot. Bonds8

About 2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid

2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid (PubChem CID 155797581) has the molecular formula C20H21O3P and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid.

Molecular Properties

Compound Name2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid
PubChem CID155797581
Molecular FormulaC20H21O3P
Molecular Weight340.36 g/mol
Exact Mass340.12
IUPAC Name2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid
SMILESC=Cc1ccc(CP(=O)(CC(=O)O)Cc2ccc(C=C)cc2)cc1
InChIInChI=1S/C20H21O3P/c1-3-16-5-9-18(10-6-16)13-24(23,15-20(21)22)14-19-11-7-17(4-2)8-12-19/h3-12H,1-2,13-15H2,(H,21,22)
InChIKeyHGOBFXDJORZZHU-UHFFFAOYSA-N
XLogP5.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.36
LogP ≤ 55.12
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

lithium;ethane;(4-ethenylphenyl)methylphosphonic acid
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1,4-bis[(4-ethenylphenyl)methyl]benzene
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CID 59550018
1-[(4-ethenylphenyl)methyl]-1-methylurea
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3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid
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4-ethenylbenzoic acid;silver
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CID 166912920

Frequently Asked Questions

What is the IUPAC name of 2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid?
The IUPAC name of 2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid (CID 155797581) is 2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid.
What is the SMILES notation for 2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid?
The canonical SMILES for 2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid is C=Cc1ccc(CP(=O)(CC(=O)O)Cc2ccc(C=C)cc2)cc1.
What is the InChIKey of 2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid?
The InChIKey is HGOBFXDJORZZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21O3P/c1-3-16-5-9-18(10-6-16)13-24(23,15-20(21)22)14-19-11-7-17(4-2)8-12-19/h3-12H,1-2,13-15H2,(H,21,22).
What are the key properties of 2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid?
2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid has a molecular weight of 340.36 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid is sourced from PubChem (CID 155797581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).