2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol

C15H13BrCl2O2 — CID 115833919

IUPAC2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1C(O)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrCl2O2/c1-20-15-5-4-11(17)8-12(15)14(19)6-9-2-3-10(16)7-13(9)18/h2-5,7-8,14,19H,6H2,1H3
InChIKeyHAMYUDICTMKTHC-UHFFFAOYSA-N
MW376.08 g/mol
LogP5.04
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol

2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol (PubChem CID 115833919) has the molecular formula C15H13BrCl2O2 and a molecular weight of 376.08 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
PubChem CID115833919
Molecular FormulaC15H13BrCl2O2
Molecular Weight376.08 g/mol
Exact Mass373.95
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1C(O)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrCl2O2/c1-20-15-5-4-11(17)8-12(15)14(19)6-9-2-3-10(16)7-13(9)18/h2-5,7-8,14,19H,6H2,1H3
InChIKeyHAMYUDICTMKTHC-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-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 65145914
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 62790115
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
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
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 82802069
2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105037702
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840317
2-(4-bromophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)ethanol
CID 66056664
[1-(5-chloro-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105200255
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol
CID 107985833

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol (CID 115833919) is 2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol is COc1ccc(Cl)cc1C(O)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol?
The InChIKey is HAMYUDICTMKTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O2/c1-20-15-5-4-11(17)8-12(15)14(19)6-9-2-3-10(16)7-13(9)18/h2-5,7-8,14,19H,6H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol?
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)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 2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 115833919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).