2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one

C17H17BrO3 — CID 104708077

IUPAC2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
SMILESCOc1ccc(OC(C)C(=O)c2ccc(C)cc2)c(Br)c1
InChIInChI=1S/C17H17BrO3/c1-11-4-6-13(7-5-11)17(19)12(2)21-16-9-8-14(20-3)10-15(16)18/h4-10,12H,1-3H3
InChIKeyBLSSDZACLHAHHB-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.42
Rot. Bonds5

About 2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one

2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one (PubChem CID 104708077) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
PubChem CID104708077
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
SMILESCOc1ccc(OC(C)C(=O)c2ccc(C)cc2)c(Br)c1
InChIInChI=1S/C17H17BrO3/c1-11-4-6-13(7-5-11)17(19)12(2)21-16-9-8-14(20-3)10-15(16)18/h4-10,12H,1-3H3
InChIKeyBLSSDZACLHAHHB-UHFFFAOYSA-N
XLogP4.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 43412278
1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one
CID 43413172
(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 898478
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
2-(3-bromophenoxy)-1-(4-methylphenyl)propan-1-one
CID 60625693
[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7561181
2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 47047009
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
CID 94185693
2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 60624535
2-(2-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60626851
2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 104704703
2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60626656

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one (CID 104708077) is 2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one is COc1ccc(OC(C)C(=O)c2ccc(C)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one?
The InChIKey is BLSSDZACLHAHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-11-4-6-13(7-5-11)17(19)12(2)21-16-9-8-14(20-3)10-15(16)18/h4-10,12H,1-3H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one?
2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one has a molecular weight of 349.22 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 104708077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).