4-(2-bromophenoxy)-1-phenylbutan-1-one

C16H15BrO2 — CID 60644532

IUPAC4-(2-bromophenoxy)-1-phenylbutan-1-one
SMILESO=C(CCCOc1ccccc1Br)c1ccccc1
InChIInChI=1S/C16H15BrO2/c17-14-9-4-5-11-16(14)19-12-6-10-15(18)13-7-2-1-3-8-13/h1-5,7-9,11H,6,10,12H2
InChIKeyLURHVRHDAQMEMU-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.49
Rot. Bonds6

About 4-(2-bromophenoxy)-1-phenylbutan-1-one

4-(2-bromophenoxy)-1-phenylbutan-1-one (PubChem CID 60644532) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(2-bromophenoxy)-1-phenylbutan-1-one
PubChem CID60644532
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name4-(2-bromophenoxy)-1-phenylbutan-1-one
SMILESO=C(CCCOc1ccccc1Br)c1ccccc1
InChIInChI=1S/C16H15BrO2/c17-14-9-4-5-11-16(14)19-12-6-10-15(18)13-7-2-1-3-8-13/h1-5,7-9,11H,6,10,12H2
InChIKeyLURHVRHDAQMEMU-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromo-6-methoxyphenoxy)-1-phenylbutan-1-one
CID 83136474
4-(2-aminophenoxy)-1-phenylbutan-1-one;hydrochloride
CID 71412332
7-(2-bromophenoxy)heptanoic acid
CID 39423766
4-(5-bromo-2-methylphenoxy)-1-phenylbutan-1-one
CID 107285074
N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide
CID 13128525
ethyl 4-(2-bromophenoxy)butanoate
CID 15070114
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
1,15-diphenylpentadecane-1,15-dione
CID 159981687
5-(2-bromophenoxy)-2,2-dimethylpentanoic acid
CID 65260015
3-chloro-4-(4-oxo-4-phenylbutoxy)benzaldehyde
CID 62032561
1-bromo-2-(4-phenoxybutoxy)benzene
CID 54285155
1-bromo-2-(3-phenoxypropoxy)benzene
CID 60665314

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-1-phenylbutan-1-one?
The IUPAC name of 4-(2-bromophenoxy)-1-phenylbutan-1-one (CID 60644532) is 4-(2-bromophenoxy)-1-phenylbutan-1-one.
What is the SMILES notation for 4-(2-bromophenoxy)-1-phenylbutan-1-one?
The canonical SMILES for 4-(2-bromophenoxy)-1-phenylbutan-1-one is O=C(CCCOc1ccccc1Br)c1ccccc1.
What is the InChIKey of 4-(2-bromophenoxy)-1-phenylbutan-1-one?
The InChIKey is LURHVRHDAQMEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c17-14-9-4-5-11-16(14)19-12-6-10-15(18)13-7-2-1-3-8-13/h1-5,7-9,11H,6,10,12H2.
What are the key properties of 4-(2-bromophenoxy)-1-phenylbutan-1-one?
4-(2-bromophenoxy)-1-phenylbutan-1-one has a molecular weight of 319.20 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-1-phenylbutan-1-one is sourced from PubChem (CID 60644532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).