1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one

C16H16BrNO2 — CID 62030222

IUPAC1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one
SMILESCC(OCCc1ccccn1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO2/c1-12(16(19)13-5-7-14(17)8-6-13)20-11-9-15-4-2-3-10-18-15/h2-8,10,12H,9,11H2,1H3
InChIKeyRJXYTSUNARFZPB-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.67
Rot. Bonds6

About 1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one

1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one (PubChem CID 62030222) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one
PubChem CID62030222
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one
SMILESCC(OCCc1ccccn1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO2/c1-12(16(19)13-5-7-14(17)8-6-13)20-11-9-15-4-2-3-10-18-15/h2-8,10,12H,9,11H2,1H3
InChIKeyRJXYTSUNARFZPB-UHFFFAOYSA-N
XLogP3.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62031358
4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029
2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 51164070
ethyl 3-(2-pyridin-2-ylethoxy)butanoate
CID 115001946
2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
CID 82826900
2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one
CID 43228048
1-(4-bromophenyl)-2-[(2-fluorophenyl)methoxy]propan-1-one
CID 63937365
2-(2-bromoethoxy)-1-phenylpropan-1-one
CID 54435812
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 62378651
2-[2-[(4-bromophenyl)methoxy]ethyl]pyridine
CID 54970606
1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097579
N-propan-2-yl-N-(2-pyridin-2-ylethoxy)propan-2-amine
CID 19697050

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one (CID 62030222) is 1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one is CC(OCCc1ccccn1)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one?
The InChIKey is RJXYTSUNARFZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-12(16(19)13-5-7-14(17)8-6-13)20-11-9-15-4-2-3-10-18-15/h2-8,10,12H,9,11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one?
1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one has a molecular weight of 334.21 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2-pyridin-2-ylethoxy)propan-1-one is sourced from PubChem (CID 62030222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).