[(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate

C28H16Cl4O4 — CID 11284367

IUPAC[(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate
SMILESO=C(O/C(=C(\OC(=O)c1ccccc1Cl)c1ccccc1Cl)c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C28H16Cl4O4/c29-21-13-5-1-9-17(21)25(35-27(33)19-11-3-7-15-23(19)31)26(18-10-2-6-14-22(18)30)36-28(34)20-12-4-8-16-24(20)32/h1-16H/b26-25-
InChIKeyANUHPZSCIPOHSF-QPLCGJKRSA-N
MW558.24 g/mol
LogP8.84
Rot. Bonds6

About [(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate

[(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate (PubChem CID 11284367) has the molecular formula C28H16Cl4O4 and a molecular weight of 558.24 g/mol. Its IUPAC name is [(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate
PubChem CID11284367
Molecular FormulaC28H16Cl4O4
Molecular Weight558.24 g/mol
Exact Mass555.98
IUPAC Name[(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate
SMILESO=C(O/C(=C(\OC(=O)c1ccccc1Cl)c1ccccc1Cl)c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C28H16Cl4O4/c29-21-13-5-1-9-17(21)25(35-27(33)19-11-3-7-15-23(19)31)26(18-10-2-6-14-22(18)30)36-28(34)20-12-4-8-16-24(20)32/h1-16H/b26-25-
InChIKeyANUHPZSCIPOHSF-QPLCGJKRSA-N
XLogP8.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.24
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate
CID 140844723
(2-bromobenzoyl) 2-chlorobenzoate
CID 88812522
2-chlorobenzenecarboperoxoic acid;hydrogen peroxide
CID 157104881
(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
CID 20714991
3-oxobutanoyl 2-chlorobenzoate
CID 175590196
(5-chloronaphthalene-1-carbonyl) 5-chloronaphthalene-1-carboxylate
CID 87755964
benzoyl 2-chlorobenzoate;3-chlorophthalic acid
CID 174368233
(2-amino-3-phenylpropanoyl) 2-chlorobenzoate
CID 150285747
(2,3,4,5,6-pentafluorophenyl) 2-chlorobenzoate
CID 71348420
trifluorosilylmethyl 2-chlorobenzoate
CID 12603930
2,2,2-tribromoethyl 2-chlorobenzoate
CID 134101353
(2-chloro-4-phenylbenzoyl) 2-chloro-4-phenylbenzoate
CID 54281074

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate?
The IUPAC name of [(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate (CID 11284367) is [(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate.
What is the SMILES notation for [(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate?
The canonical SMILES for [(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate is O=C(O/C(=C(\OC(=O)c1ccccc1Cl)c1ccccc1Cl)c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of [(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate?
The InChIKey is ANUHPZSCIPOHSF-QPLCGJKRSA-N. The full InChI is InChI=1S/C28H16Cl4O4/c29-21-13-5-1-9-17(21)25(35-27(33)19-11-3-7-15-23(19)31)26(18-10-2-6-14-22(18)30)36-28(34)20-12-4-8-16-24(20)32/h1-16H/b26-25-.
What are the key properties of [(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate?
[(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate has a molecular weight of 558.24 g/mol, XLogP of 8.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate is sourced from PubChem (CID 11284367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).