1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone

C16H15BrO3 — CID 82971742

IUPAC1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone
SMILESCOc1cc(C)ccc1Oc1cc(Br)ccc1C(C)=O
InChIInChI=1S/C16H15BrO3/c1-10-4-7-14(16(8-10)19-3)20-15-9-12(17)5-6-13(15)11(2)18/h4-9H,1-3H3
InChIKeyUXGRZANMAHXYSS-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.76
Rot. Bonds4

About 1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone

1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone (PubChem CID 82971742) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone
PubChem CID82971742
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone
SMILESCOc1cc(C)ccc1Oc1cc(Br)ccc1C(C)=O
InChIInChI=1S/C16H15BrO3/c1-10-4-7-14(16(8-10)19-3)20-15-9-12(17)5-6-13(15)11(2)18/h4-9H,1-3H3
InChIKeyUXGRZANMAHXYSS-UHFFFAOYSA-N
XLogP4.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-(2-chloro-4-methylphenoxy)phenyl]ethanone
CID 82971828
4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 114904752
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-[4-bromo-2-(3,5-dimethylphenoxy)phenyl]ethanone
CID 82967401
1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone
CID 82971994
1-[4-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966599
1-[5-bromo-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethanone
CID 82954571
1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone
CID 107724723
1-[4-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971454
1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 102948039
1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone
CID 2899242
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone (CID 82971742) is 1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone is COc1cc(C)ccc1Oc1cc(Br)ccc1C(C)=O.
What is the InChIKey of 1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone?
The InChIKey is UXGRZANMAHXYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-10-4-7-14(16(8-10)19-3)20-15-9-12(17)5-6-13(15)11(2)18/h4-9H,1-3H3.
What are the key properties of 1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone?
1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone has a molecular weight of 335.20 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone is sourced from PubChem (CID 82971742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).