3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one

C14H12BrNO2 — CID 54971367

IUPAC3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one
SMILESO=C(CCOc1ccc(Br)cc1)c1ccncc1
InChIInChI=1S/C14H12BrNO2/c15-12-1-3-13(4-2-12)18-10-7-14(17)11-5-8-16-9-6-11/h1-6,8-9H,7,10H2
InChIKeyBBCCKVORIJTUII-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.50
Rot. Bonds5

About 3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one

3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one (PubChem CID 54971367) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one
PubChem CID54971367
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one
SMILESO=C(CCOc1ccc(Br)cc1)c1ccncc1
InChIInChI=1S/C14H12BrNO2/c15-12-1-3-13(4-2-12)18-10-7-14(17)11-5-8-16-9-6-11/h1-6,8-9H,7,10H2
InChIKeyBBCCKVORIJTUII-UHFFFAOYSA-N
XLogP3.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide
CID 27700039
2-(4-bromophenoxy)ethyl 4-oxo-4-phenylbutanoate
CID 55324989
3-ethoxy-1-pyridin-4-ylpropan-1-one
CID 114997236
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
(4-bromophenyl) 4-(4-bromophenoxy)butanoate
CID 14661638
1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one
CID 163833634
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
3-[2-(4-bromophenoxy)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 112971297
[4-[2-(4-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717760
3-(4-bromophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43427786
3-(4-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 60751054
2-(4-bromophenoxy)ethyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
CID 47011995

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one?
The IUPAC name of 3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one (CID 54971367) is 3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one?
The canonical SMILES for 3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one is O=C(CCOc1ccc(Br)cc1)c1ccncc1.
What is the InChIKey of 3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one?
The InChIKey is BBCCKVORIJTUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-12-1-3-13(4-2-12)18-10-7-14(17)11-5-8-16-9-6-11/h1-6,8-9H,7,10H2.
What are the key properties of 3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one?
3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one has a molecular weight of 306.16 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-1-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 54971367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).