2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone

C22H19BrO4 — CID 91871425

IUPAC2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)cc1
InChIInChI=1S/C22H19BrO4/c1-26-18-8-4-16(5-9-18)14-27-19-10-11-20(22(25)13-19)21(24)12-15-2-6-17(23)7-3-15/h2-11,13,25H,12,14H2,1H3
InChIKeyLGXHDKLLOITSFR-UHFFFAOYSA-N
MW427.29 g/mol
LogP5.17
Rot. Bonds7

About 2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone

2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone (PubChem CID 91871425) has the molecular formula C22H19BrO4 and a molecular weight of 427.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
PubChem CID91871425
Molecular FormulaC22H19BrO4
Molecular Weight427.29 g/mol
Exact Mass426.05
IUPAC Name2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)cc1
InChIInChI=1S/C22H19BrO4/c1-26-18-8-4-16(5-9-18)14-27-19-10-11-20(22(25)13-19)21(24)12-15-2-6-17(23)7-3-15/h2-11,13,25H,12,14H2,1H3
InChIKeyLGXHDKLLOITSFR-UHFFFAOYSA-N
XLogP5.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
CID 91871423
2-hydroxy-4-[(4-methoxyphenyl)methoxy]-N-methylbenzamide
CID 68959972
1-(2-hydroxy-4-methoxyphenyl)-2-(6-methylnaphthalen-2-yl)ethanone
CID 86168500
1-[4-[(4-bromophenyl)methoxy]-2-ethylphenyl]ethanone
CID 91864406
2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
CID 1268029
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone
CID 91863632
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
2-(4-bromophenyl)-1-(2-hydroxyphenyl)ethanone
CID 118516182
1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone
CID 75481107

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone (CID 91871425) is 2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone is COc1ccc(COc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The InChIKey is LGXHDKLLOITSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrO4/c1-26-18-8-4-16(5-9-18)14-27-19-10-11-20(22(25)13-19)21(24)12-15-2-6-17(23)7-3-15/h2-11,13,25H,12,14H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone has a molecular weight of 427.29 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 91871425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).