1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone

C15H12Br2O3 — CID 155588815

IUPAC1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone
SMILESCC(=O)c1c(O)cccc1OCc1cc(Br)cc(Br)c1
InChIInChI=1S/C15H12Br2O3/c1-9(18)15-13(19)3-2-4-14(15)20-8-10-5-11(16)7-12(17)6-10/h2-7,19H,8H2,1H3
InChIKeyMBQYXLHWTJXKEK-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.70
Rot. Bonds4

About 1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone

1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone (PubChem CID 155588815) has the molecular formula C15H12Br2O3 and a molecular weight of 400.07 g/mol. Its IUPAC name is 1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone
PubChem CID155588815
Molecular FormulaC15H12Br2O3
Molecular Weight400.07 g/mol
Exact Mass397.92
IUPAC Name1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone
SMILESCC(=O)c1c(O)cccc1OCc1cc(Br)cc(Br)c1
InChIInChI=1S/C15H12Br2O3/c1-9(18)15-13(19)3-2-4-14(15)20-8-10-5-11(16)7-12(17)6-10/h2-7,19H,8H2,1H3
InChIKeyMBQYXLHWTJXKEK-UHFFFAOYSA-N
XLogP4.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[2-[(3-bromo-5-methylphenyl)methoxy]phenyl]acetate
CID 121354476
dimethyl 3-[(3-bromophenyl)methoxy]benzene-1,2-dicarboxylate
CID 66906596
1-(2-bromo-6-hydroxyphenyl)ethanone
CID 53407096
1-[4-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102948099
1-[2-hydroxy-6-(3-methylpentoxy)phenyl]ethanone
CID 163755781
1-[2,6-bis(hydroxymethoxy)phenyl]ethanone
CID 69072315
(E)-3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxy-6-phenylmethoxyphenyl)prop-2-en-1-one
CID 71735015
1-[2-(ethylaminooxy)-6-hydroxyphenyl]ethanone
CID 163959299
(E)-3-(5-bromo-2-ethoxyphenyl)-1-(2-hydroxy-6-phenylmethoxyphenyl)prop-2-en-1-one
CID 127047361
1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 79671185
2-[(3-bromophenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid
CID 10270297
5-bromo-3-phenylmethoxybenzene-1,2-diol
CID 86049780

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone?
The IUPAC name of 1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone (CID 155588815) is 1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone is CC(=O)c1c(O)cccc1OCc1cc(Br)cc(Br)c1.
What is the InChIKey of 1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone?
The InChIKey is MBQYXLHWTJXKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O3/c1-9(18)15-13(19)3-2-4-14(15)20-8-10-5-11(16)7-12(17)6-10/h2-7,19H,8H2,1H3.
What are the key properties of 1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone?
1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone has a molecular weight of 400.07 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dibromophenyl)methoxy]-6-hydroxyphenyl]ethanone is sourced from PubChem (CID 155588815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).