4-phenoxybenzoyl bromide

C13H9BrO2 — CID 116924551

IUPAC4-phenoxybenzoyl bromide
SMILESO=C(Br)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H9BrO2/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H
InChIKeyINHJAHQXPYNZJZ-UHFFFAOYSA-N
MW277.12 g/mol
LogP4.01
Rot. Bonds3

About 4-phenoxybenzoyl bromide

4-phenoxybenzoyl bromide (PubChem CID 116924551) has the molecular formula C13H9BrO2 and a molecular weight of 277.12 g/mol. Its IUPAC name is 4-phenoxybenzoyl bromide.

Molecular Properties

Compound Name4-phenoxybenzoyl bromide
PubChem CID116924551
Molecular FormulaC13H9BrO2
Molecular Weight277.12 g/mol
Exact Mass275.98
IUPAC Name4-phenoxybenzoyl bromide
SMILESO=C(Br)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H9BrO2/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H
InChIKeyINHJAHQXPYNZJZ-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-(4-phenoxyphenoxy)benzoyl fluoride
CID 19017949
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
benzoyl bromide
CID 12056
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353
2-fluoro-1-(4-phenoxyphenyl)ethanone
CID 141218544
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide
CID 21231530
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
1-[3-[2-oxo-2-(4-phenoxyphenyl)acetyl]phenyl]-2-(4-phenoxyphenyl)ethane-1,2-dione
CID 20508401
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974

Frequently Asked Questions

What is the IUPAC name of 4-phenoxybenzoyl bromide?
The IUPAC name of 4-phenoxybenzoyl bromide (CID 116924551) is 4-phenoxybenzoyl bromide.
What is the SMILES notation for 4-phenoxybenzoyl bromide?
The canonical SMILES for 4-phenoxybenzoyl bromide is O=C(Br)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxybenzoyl bromide?
The InChIKey is INHJAHQXPYNZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrO2/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H.
What are the key properties of 4-phenoxybenzoyl bromide?
4-phenoxybenzoyl bromide has a molecular weight of 277.12 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxybenzoyl bromide is sourced from PubChem (CID 116924551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).