1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one

C16H16BrNO2 — CID 157499209

IUPAC1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2cc(C)ccn2)c(Br)c1
InChIInChI=1S/C16H16BrNO2/c1-3-15(19)12-4-5-16(14(17)9-12)20-10-13-8-11(2)6-7-18-13/h4-9H,3,10H2,1-2H3
InChIKeyBYEXCFQTXYZWKG-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.32
Rot. Bonds5

About 1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one

1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one (PubChem CID 157499209) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one
PubChem CID157499209
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2cc(C)ccn2)c(Br)c1
InChIInChI=1S/C16H16BrNO2/c1-3-15(19)12-4-5-16(14(17)9-12)20-10-13-8-11(2)6-7-18-13/h4-9H,3,10H2,1-2H3
InChIKeyBYEXCFQTXYZWKG-UHFFFAOYSA-N
XLogP4.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-4-phenylmethoxyphenyl)propan-1-one
CID 177405954
3-bromo-4-[(4-methylphenyl)methoxy]benzoic acid
CID 8706873
3-bromo-4-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 45447581
3-bromo-4-(pyridin-4-ylmethoxy)benzoic acid
CID 63050770
2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone
CID 60624093
3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 17073866
1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]propan-1-one
CID 83950881
1-(2-bromo-4-methylphenoxy)butan-2-one
CID 62040640
3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide
CID 102774379
1-(3-bromo-4-ethoxyphenyl)-2-methylsulfonylethanone
CID 104656757
1-(3-bromo-4-ethoxyphenyl)-3-methoxypropan-1-one
CID 82051325
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one (CID 157499209) is 1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCc2cc(C)ccn2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one?
The InChIKey is BYEXCFQTXYZWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-3-15(19)12-4-5-16(14(17)9-12)20-10-13-8-11(2)6-7-18-13/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one?
1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one has a molecular weight of 334.21 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(4-methyl-2-pyridinyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 157499209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).