[1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate

C24H14Cl2O6 — CID 140844723

IUPAC[1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate
SMILESO=C(OC(=C(OC(=O)c1ccco1)c1ccccc1Cl)c1ccccc1Cl)c1ccco1
InChIInChI=1S/C24H14Cl2O6/c25-17-9-3-1-7-15(17)21(31-23(27)19-11-5-13-29-19)22(16-8-2-4-10-18(16)26)32-24(28)20-12-6-14-30-20/h1-14H
InChIKeyREYMYIZYNDMZGF-UHFFFAOYSA-N
MW469.28 g/mol
LogP6.72
Rot. Bonds6

About [1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate

[1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate (PubChem CID 140844723) has the molecular formula C24H14Cl2O6 and a molecular weight of 469.28 g/mol. Its IUPAC name is [1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate
PubChem CID140844723
Molecular FormulaC24H14Cl2O6
Molecular Weight469.28 g/mol
Exact Mass468.02
IUPAC Name[1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate
SMILESO=C(OC(=C(OC(=O)c1ccco1)c1ccccc1Cl)c1ccccc1Cl)c1ccco1
InChIInChI=1S/C24H14Cl2O6/c25-17-9-3-1-7-15(17)21(31-23(27)19-11-5-13-29-19)22(16-8-2-4-10-18(16)26)32-24(28)20-12-6-14-30-20/h1-14H
InChIKeyREYMYIZYNDMZGF-UHFFFAOYSA-N
XLogP6.72
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.28
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate
CID 11284367
(2,2,2-trifluoroacetyl) furan-2-carboxylate
CID 91700684
(triphenyl-λ4-sulfanyl) furan-2-carboxylate
CID 164863149
2-(2-chlorophenyl)-1-(furan-2-yl)ethanone
CID 61055441
(2,3,4,6-tetrachlorophenyl) furan-2-carboxylate
CID 91700579
(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
(3-chloro-4-pyridinyl) furan-2-carboxylate
CID 23182895
2,2,3,3,3-pentafluoropropanoyl furan-2-carboxylate
CID 91700723
(3,5-dichloro-2-pyridinyl) furan-2-carboxylate
CID 50876798
bromomethyl furan-2-carboxylate
CID 54363056
(2S)-2-(2-chlorophenyl)-1-(furan-2-yl)-2-hydroxyethanone
CID 125483361
(2R)-2-(2-chlorophenyl)-1-(furan-2-yl)-2-hydroxyethanone
CID 125483360

Frequently Asked Questions

What is the IUPAC name of [1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate?
The IUPAC name of [1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate (CID 140844723) is [1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate.
What is the SMILES notation for [1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate?
The canonical SMILES for [1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate is O=C(OC(=C(OC(=O)c1ccco1)c1ccccc1Cl)c1ccccc1Cl)c1ccco1.
What is the InChIKey of [1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate?
The InChIKey is REYMYIZYNDMZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2O6/c25-17-9-3-1-7-15(17)21(31-23(27)19-11-5-13-29-19)22(16-8-2-4-10-18(16)26)32-24(28)20-12-6-14-30-20/h1-14H.
What are the key properties of [1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate?
[1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate has a molecular weight of 469.28 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate is sourced from PubChem (CID 140844723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).