1,2-bis(5-bromo-2-methoxyphenyl)ethanol

C16H16Br2O3 — CID 63895550

IUPAC1,2-bis(5-bromo-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1cc(Br)ccc1OC
InChIInChI=1S/C16H16Br2O3/c1-20-15-5-3-11(17)7-10(15)8-14(19)13-9-12(18)4-6-16(13)21-2/h3-7,9,14,19H,8H2,1-2H3
InChIKeyWVQFPUPFFFFXIG-UHFFFAOYSA-N
MW416.11 g/mol
LogP4.50
Rot. Bonds5

About 1,2-bis(5-bromo-2-methoxyphenyl)ethanol

1,2-bis(5-bromo-2-methoxyphenyl)ethanol (PubChem CID 63895550) has the molecular formula C16H16Br2O3 and a molecular weight of 416.11 g/mol. Its IUPAC name is 1,2-bis(5-bromo-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1,2-bis(5-bromo-2-methoxyphenyl)ethanol
PubChem CID63895550
Molecular FormulaC16H16Br2O3
Molecular Weight416.11 g/mol
Exact Mass413.95
IUPAC Name1,2-bis(5-bromo-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1cc(Br)ccc1OC
InChIInChI=1S/C16H16Br2O3/c1-20-15-5-3-11(17)7-10(15)8-14(19)13-9-12(18)4-6-16(13)21-2/h3-7,9,14,19H,8H2,1-2H3
InChIKeyWVQFPUPFFFFXIG-UHFFFAOYSA-N
XLogP4.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.11
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
1-(2-aminophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 64832581
2-(5-bromo-2-methoxyphenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115779294
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969583
2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115784994
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333
1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 65145914
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 115833919

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(5-bromo-2-methoxyphenyl)ethanol?
The IUPAC name of 1,2-bis(5-bromo-2-methoxyphenyl)ethanol (CID 63895550) is 1,2-bis(5-bromo-2-methoxyphenyl)ethanol.
What is the SMILES notation for 1,2-bis(5-bromo-2-methoxyphenyl)ethanol?
The canonical SMILES for 1,2-bis(5-bromo-2-methoxyphenyl)ethanol is COc1ccc(Br)cc1CC(O)c1cc(Br)ccc1OC.
What is the InChIKey of 1,2-bis(5-bromo-2-methoxyphenyl)ethanol?
The InChIKey is WVQFPUPFFFFXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O3/c1-20-15-5-3-11(17)7-10(15)8-14(19)13-9-12(18)4-6-16(13)21-2/h3-7,9,14,19H,8H2,1-2H3.
What are the key properties of 1,2-bis(5-bromo-2-methoxyphenyl)ethanol?
1,2-bis(5-bromo-2-methoxyphenyl)ethanol has a molecular weight of 416.11 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(5-bromo-2-methoxyphenyl)ethanol is sourced from PubChem (CID 63895550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).