[3-(3-bromobenzoyl)phenyl] acetate

C15H11BrO3 — CID 24722940

IUPAC[3-(3-bromobenzoyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C15H11BrO3/c1-10(17)19-14-7-3-5-12(9-14)15(18)11-4-2-6-13(16)8-11/h2-9H,1H3
InChIKeyNPGZTFBHMQRDEB-UHFFFAOYSA-N
MW319.15 g/mol
LogP3.61
Rot. Bonds3

About [3-(3-bromobenzoyl)phenyl] acetate

[3-(3-bromobenzoyl)phenyl] acetate (PubChem CID 24722940) has the molecular formula C15H11BrO3 and a molecular weight of 319.15 g/mol. Its IUPAC name is [3-(3-bromobenzoyl)phenyl] acetate.

Molecular Properties

Compound Name[3-(3-bromobenzoyl)phenyl] acetate
PubChem CID24722940
Molecular FormulaC15H11BrO3
Molecular Weight319.15 g/mol
Exact Mass317.99
IUPAC Name[3-(3-bromobenzoyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C15H11BrO3/c1-10(17)19-14-7-3-5-12(9-14)15(18)11-4-2-6-13(16)8-11/h2-9H,1H3
InChIKeyNPGZTFBHMQRDEB-UHFFFAOYSA-N
XLogP3.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
CID 22494542
[3-(3-phenylbenzoyl)phenyl] acetate
CID 131863068
[3-(3,4-difluorobenzoyl)phenyl] acetate
CID 24722970
(3-bromophenyl)-(3-phosphorosooxyphenyl)methanone
CID 126610776
[3-(4-butylbenzoyl)phenyl] acetate
CID 24722956
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
[3-(2-bromoacetyl)phenyl] acetate
CID 23289276
methyl 3-acetyloxybenzoate
CID 577969
[3-(2-bromo-2,2-difluoroacetyl)phenyl] acetate
CID 146010595
N-[4-(3-bromobenzoyl)phenyl]acetamide
CID 43337929
[3-(2,3-dimethylbenzoyl)phenyl] acetate
CID 24722984

Frequently Asked Questions

What is the IUPAC name of [3-(3-bromobenzoyl)phenyl] acetate?
The IUPAC name of [3-(3-bromobenzoyl)phenyl] acetate (CID 24722940) is [3-(3-bromobenzoyl)phenyl] acetate.
What is the SMILES notation for [3-(3-bromobenzoyl)phenyl] acetate?
The canonical SMILES for [3-(3-bromobenzoyl)phenyl] acetate is CC(=O)Oc1cccc(C(=O)c2cccc(Br)c2)c1.
What is the InChIKey of [3-(3-bromobenzoyl)phenyl] acetate?
The InChIKey is NPGZTFBHMQRDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO3/c1-10(17)19-14-7-3-5-12(9-14)15(18)11-4-2-6-13(16)8-11/h2-9H,1H3.
What are the key properties of [3-(3-bromobenzoyl)phenyl] acetate?
[3-(3-bromobenzoyl)phenyl] acetate has a molecular weight of 319.15 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-bromobenzoyl)phenyl] acetate is sourced from PubChem (CID 24722940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).