[(Z)-2-chloro-2-phenylethenyl]phosphonic acid

C8H8ClO3P — CID 2249320

IUPAC[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
SMILESO=P(O)(O)/C=C(\Cl)c1ccccc1
InChIInChI=1S/C8H8ClO3P/c9-8(6-13(10,11)12)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)/b8-6-
InChIKeyQOGZXULVVUEDSG-VURMDHGXSA-N
MW218.58 g/mol
LogP2.40
Rot. Bonds2

About [(Z)-2-chloro-2-phenylethenyl]phosphonic acid

[(Z)-2-chloro-2-phenylethenyl]phosphonic acid (PubChem CID 2249320) has the molecular formula C8H8ClO3P and a molecular weight of 218.58 g/mol. Its IUPAC name is [(Z)-2-chloro-2-phenylethenyl]phosphonic acid.

Molecular Properties

Compound Name[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
PubChem CID2249320
Molecular FormulaC8H8ClO3P
Molecular Weight218.58 g/mol
Exact Mass217.99
IUPAC Name[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
SMILESO=P(O)(O)/C=C(\Cl)c1ccccc1
InChIInChI=1S/C8H8ClO3P/c9-8(6-13(10,11)12)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)/b8-6-
InChIKeyQOGZXULVVUEDSG-VURMDHGXSA-N
XLogP2.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.58
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-chloro-2-phenylethenyl)phosphinic acid
CID 71361509
[(E)-2-phenylprop-1-enyl]phosphonic acid
CID 10954513
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
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 [(Z)-2-chloro-2-phenylethenyl]phosphonic acid?
The IUPAC name of [(Z)-2-chloro-2-phenylethenyl]phosphonic acid (CID 2249320) is [(Z)-2-chloro-2-phenylethenyl]phosphonic acid.
What is the SMILES notation for [(Z)-2-chloro-2-phenylethenyl]phosphonic acid?
The canonical SMILES for [(Z)-2-chloro-2-phenylethenyl]phosphonic acid is O=P(O)(O)/C=C(\Cl)c1ccccc1.
What is the InChIKey of [(Z)-2-chloro-2-phenylethenyl]phosphonic acid?
The InChIKey is QOGZXULVVUEDSG-VURMDHGXSA-N. The full InChI is InChI=1S/C8H8ClO3P/c9-8(6-13(10,11)12)7-4-2-1-3-5-7/h1-6H,(H2,10,11,12)/b8-6-.
What are the key properties of [(Z)-2-chloro-2-phenylethenyl]phosphonic acid?
[(Z)-2-chloro-2-phenylethenyl]phosphonic acid has a molecular weight of 218.58 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-chloro-2-phenylethenyl]phosphonic acid is sourced from PubChem (CID 2249320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).