1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone

C15H13BrO3 — CID 62909860

IUPAC1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone
SMILESCOc1cccc(Oc2ccc(C(C)=O)cc2Br)c1
InChIInChI=1S/C15H13BrO3/c1-10(17)11-6-7-15(14(16)8-11)19-13-5-3-4-12(9-13)18-2/h3-9H,1-2H3
InChIKeyPRSOWRFWPQEWNX-UHFFFAOYSA-N
MW321.17 g/mol
LogP4.45
Rot. Bonds4

About 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone

1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone (PubChem CID 62909860) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone
PubChem CID62909860
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone
SMILESCOc1cccc(Oc2ccc(C(C)=O)cc2Br)c1
InChIInChI=1S/C15H13BrO3/c1-10(17)11-6-7-15(14(16)8-11)19-13-5-3-4-12(9-13)18-2/h3-9H,1-2H3
InChIKeyPRSOWRFWPQEWNX-UHFFFAOYSA-N
XLogP4.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-4-(3-fluorophenoxy)phenyl]ethanone
CID 62909024
1-[3-bromo-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanone
CID 62910215
1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone
CID 82132319
1-[3-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanone
CID 79403294
1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanone
CID 62908521
3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
CID 82799441
1-[3-bromo-4-(4-bromo-3-fluorophenoxy)phenyl]ethanone
CID 65201166
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
3-bromo-4-(3-methylphenoxy)benzoic acid
CID 82801842
1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone
CID 113443679
1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone
CID 107284752
1-[3-bromo-4-(2-chlorophenoxy)phenyl]ethanone
CID 62908154

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone?
The IUPAC name of 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone (CID 62909860) is 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone is COc1cccc(Oc2ccc(C(C)=O)cc2Br)c1.
What is the InChIKey of 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone?
The InChIKey is PRSOWRFWPQEWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c1-10(17)11-6-7-15(14(16)8-11)19-13-5-3-4-12(9-13)18-2/h3-9H,1-2H3.
What are the key properties of 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone?
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone has a molecular weight of 321.17 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone is sourced from PubChem (CID 62909860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).