1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol

C16H16Br2O2 — CID 107947333

IUPAC1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H16Br2O2/c1-10-3-6-16(20-2)11(7-10)8-15(19)13-5-4-12(17)9-14(13)18/h3-7,9,15,19H,8H2,1-2H3
InChIKeyIIMBNNKXHHRJTG-UHFFFAOYSA-N
MW400.11 g/mol
LogP4.80
Rot. Bonds4

About 1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol

1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 107947333) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
PubChem CID107947333
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H16Br2O2/c1-10-3-6-16(20-2)11(7-10)8-15(19)13-5-4-12(17)9-14(13)18/h3-7,9,15,19H,8H2,1-2H3
InChIKeyIIMBNNKXHHRJTG-UHFFFAOYSA-N
XLogP4.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115779294
1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788606
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115784994
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789
1-(4-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826208
1-(2-aminophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 64833173
2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790626

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol (CID 107947333) is 1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1CC(O)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is IIMBNNKXHHRJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-10-3-6-16(20-2)11(7-10)8-15(19)13-5-4-12(17)9-14(13)18/h3-7,9,15,19H,8H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol?
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 400.11 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 107947333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).