1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone

C16H15BrO4 — CID 82956350

IUPAC1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone
SMILESCOc1cc(OC)cc(Oc2ccc(Br)cc2C(C)=O)c1
InChIInChI=1S/C16H15BrO4/c1-10(18)15-6-11(17)4-5-16(15)21-14-8-12(19-2)7-13(9-14)20-3/h4-9H,1-3H3
InChIKeyYPPNSRUZAHPHHS-UHFFFAOYSA-N
MW351.20 g/mol
LogP4.46
Rot. Bonds5

About 1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone

1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone (PubChem CID 82956350) has the molecular formula C16H15BrO4 and a molecular weight of 351.20 g/mol. Its IUPAC name is 1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone
PubChem CID82956350
Molecular FormulaC16H15BrO4
Molecular Weight351.20 g/mol
Exact Mass350.02
IUPAC Name1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone
SMILESCOc1cc(OC)cc(Oc2ccc(Br)cc2C(C)=O)c1
InChIInChI=1S/C16H15BrO4/c1-10(18)15-6-11(17)4-5-16(15)21-14-8-12(19-2)7-13(9-14)20-3/h4-9H,1-3H3
InChIKeyYPPNSRUZAHPHHS-UHFFFAOYSA-N
XLogP4.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680
1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone
CID 104707843
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-[5-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966681
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanone
CID 82972295
2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene
CID 132934312
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone
CID 82972451
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone
CID 82967321
1-[4-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966599
1-[4-bromo-2-(3,5-dimethylphenoxy)phenyl]ethanone
CID 82967401
1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone
CID 107724723

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone?
The IUPAC name of 1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone (CID 82956350) is 1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone is COc1cc(OC)cc(Oc2ccc(Br)cc2C(C)=O)c1.
What is the InChIKey of 1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone?
The InChIKey is YPPNSRUZAHPHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO4/c1-10(18)15-6-11(17)4-5-16(15)21-14-8-12(19-2)7-13(9-14)20-3/h4-9H,1-3H3.
What are the key properties of 1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone?
1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone has a molecular weight of 351.20 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone is sourced from PubChem (CID 82956350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).