bis(2-chloro-2-phenylethenyl)phosphinic acid

C16H13Cl2O2P — CID 71361509

IUPACbis(2-chloro-2-phenylethenyl)phosphinic acid
SMILESO=P(O)(C=C(Cl)c1ccccc1)C=C(Cl)c1ccccc1
InChIInChI=1S/C16H13Cl2O2P/c17-15(13-7-3-1-4-8-13)11-21(19,20)12-16(18)14-9-5-2-6-10-14/h1-12H,(H,19,20)
InChIKeyVVZZGGIOQPWFIH-UHFFFAOYSA-N
MW339.16 g/mol
LogP5.73
Rot. Bonds4

About bis(2-chloro-2-phenylethenyl)phosphinic acid

bis(2-chloro-2-phenylethenyl)phosphinic acid (PubChem CID 71361509) has the molecular formula C16H13Cl2O2P and a molecular weight of 339.16 g/mol. Its IUPAC name is bis(2-chloro-2-phenylethenyl)phosphinic acid.

Molecular Properties

Compound Namebis(2-chloro-2-phenylethenyl)phosphinic acid
PubChem CID71361509
Molecular FormulaC16H13Cl2O2P
Molecular Weight339.16 g/mol
Exact Mass338.00
IUPAC Namebis(2-chloro-2-phenylethenyl)phosphinic acid
SMILESO=P(O)(C=C(Cl)c1ccccc1)C=C(Cl)c1ccccc1
InChIInChI=1S/C16H13Cl2O2P/c17-15(13-7-3-1-4-8-13)11-21(19,20)12-16(18)14-9-5-2-6-10-14/h1-12H,(H,19,20)
InChIKeyVVZZGGIOQPWFIH-UHFFFAOYSA-N
XLogP5.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.16
LogP ≤ 55.73
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

[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
CID 2249320
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine
CID 6307479
[(Z)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 5357177
[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 92533089
1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine
CID 3666298
(Z)-3-chloro-1,3-diphenylprop-2-en-1-one
CID 12890118
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline
CID 6257382
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine
CID 6032031
N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline
CID 3661620
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine
CID 2307241
(Z)-3-chloro-3-phenylprop-2-enoyl chloride
CID 13053218
(3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine
CID 2314319

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-2-phenylethenyl)phosphinic acid?
The IUPAC name of bis(2-chloro-2-phenylethenyl)phosphinic acid (CID 71361509) is bis(2-chloro-2-phenylethenyl)phosphinic acid.
What is the SMILES notation for bis(2-chloro-2-phenylethenyl)phosphinic acid?
The canonical SMILES for bis(2-chloro-2-phenylethenyl)phosphinic acid is O=P(O)(C=C(Cl)c1ccccc1)C=C(Cl)c1ccccc1.
What is the InChIKey of bis(2-chloro-2-phenylethenyl)phosphinic acid?
The InChIKey is VVZZGGIOQPWFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2O2P/c17-15(13-7-3-1-4-8-13)11-21(19,20)12-16(18)14-9-5-2-6-10-14/h1-12H,(H,19,20).
What are the key properties of bis(2-chloro-2-phenylethenyl)phosphinic acid?
bis(2-chloro-2-phenylethenyl)phosphinic acid has a molecular weight of 339.16 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloro-2-phenylethenyl)phosphinic acid is sourced from PubChem (CID 71361509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).