1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol

C15H13BrCl2O2 — CID 115782457

IUPAC1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol
SMILESCOc1cc(Br)ccc1C(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13BrCl2O2/c1-20-15-7-9(16)5-6-10(15)14(19)8-11-12(17)3-2-4-13(11)18/h2-7,14,19H,8H2,1H3
InChIKeyXHDUVMDGFBANQL-UHFFFAOYSA-N
MW376.08 g/mol
LogP5.04
Rot. Bonds4

About 1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol

1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol (PubChem CID 115782457) has the molecular formula C15H13BrCl2O2 and a molecular weight of 376.08 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol
PubChem CID115782457
Molecular FormulaC15H13BrCl2O2
Molecular Weight376.08 g/mol
Exact Mass373.95
IUPAC Name1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol
SMILESCOc1cc(Br)ccc1C(O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13BrCl2O2/c1-20-15-7-9(16)5-6-10(15)14(19)8-11-12(17)3-2-4-13(11)18/h2-7,14,19H,8H2,1H3
InChIKeyXHDUVMDGFBANQL-UHFFFAOYSA-N
XLogP5.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.08
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830255
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831118
[1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 105289117
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanol
CID 114980288
1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655718
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol
CID 115826418
1-(4-bromo-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115370058
1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 115369401
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 106859115
1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol (CID 115782457) is 1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol is COc1cc(Br)ccc1C(O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol?
The InChIKey is XHDUVMDGFBANQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O2/c1-20-15-7-9(16)5-6-10(15)14(19)8-11-12(17)3-2-4-13(11)18/h2-7,14,19H,8H2,1H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol?
1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol has a molecular weight of 376.08 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol is sourced from PubChem (CID 115782457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).