(4-bromobenzoyl) 4-bromobenzoate

C14H8Br2O3 — CID 603204

IUPAC(4-bromobenzoyl) 4-bromobenzoate
SMILESO=C(OC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H8Br2O3/c15-11-5-1-9(2-6-11)13(17)19-14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKeyIUILGHBUWUXVBP-UHFFFAOYSA-N
MW384.02 g/mol
LogP4.21
Rot. Bonds2

About (4-bromobenzoyl) 4-bromobenzoate

(4-bromobenzoyl) 4-bromobenzoate (PubChem CID 603204) has the molecular formula C14H8Br2O3 and a molecular weight of 384.02 g/mol. Its IUPAC name is (4-bromobenzoyl) 4-bromobenzoate.

Molecular Properties

Compound Name(4-bromobenzoyl) 4-bromobenzoate
PubChem CID603204
Molecular FormulaC14H8Br2O3
Molecular Weight384.02 g/mol
Exact Mass381.88
IUPAC Name(4-bromobenzoyl) 4-bromobenzoate
SMILESO=C(OC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H8Br2O3/c15-11-5-1-9(2-6-11)13(17)19-14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKeyIUILGHBUWUXVBP-UHFFFAOYSA-N
XLogP4.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.02
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Benzyl Benzoate
CID 2345
Phenethyl Benzoate
CID 7194
Cinnamyl benzoate
CID 5705112
4-Bromobenzoic acid
CID 11464
Benzoic anhydride
CID 7167
Methyl 4-bromobenzoate
CID 12081
Methyl 2-bromobenzoate
CID 11894
Methyl 3-bromobenzoate
CID 12070
benzoic acid, p-bromo-, sodium salt
CID 23690998
3-Phenylprop-2-en-1-yl benzoate
CID 316771
Ethyl 3-bromobenzoate
CID 90488
Methyl 3,5-Dibromobenzoate
CID 621923

Frequently Asked Questions

What is the IUPAC name of (4-bromobenzoyl) 4-bromobenzoate?
The IUPAC name of (4-bromobenzoyl) 4-bromobenzoate (CID 603204) is (4-bromobenzoyl) 4-bromobenzoate.
What is the SMILES notation for (4-bromobenzoyl) 4-bromobenzoate?
The canonical SMILES for (4-bromobenzoyl) 4-bromobenzoate is O=C(OC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of (4-bromobenzoyl) 4-bromobenzoate?
The InChIKey is IUILGHBUWUXVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2O3/c15-11-5-1-9(2-6-11)13(17)19-14(18)10-3-7-12(16)8-4-10/h1-8H.
What are the key properties of (4-bromobenzoyl) 4-bromobenzoate?
(4-bromobenzoyl) 4-bromobenzoate has a molecular weight of 384.02 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromobenzoyl) 4-bromobenzoate is sourced from PubChem (CID 603204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).