1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol

C15H13BrCl2O — CID 115802065

IUPAC1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
SMILESCc1ccc(Br)c(C(O)Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H13BrCl2O/c1-9-2-4-13(16)12(6-9)15(19)8-10-7-11(17)3-5-14(10)18/h2-7,15,19H,8H2,1H3
InChIKeyOYXOYEDIYPKROH-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.34
Rot. Bonds3

About 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol

1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol (PubChem CID 115802065) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
PubChem CID115802065
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
SMILESCc1ccc(Br)c(C(O)Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C15H13BrCl2O/c1-9-2-4-13(16)12(6-9)15(19)8-10-7-11(17)3-5-14(10)18/h2-7,15,19H,8H2,1H3
InChIKeyOYXOYEDIYPKROH-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802037
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 115863331
2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790756
1-(2-bromo-5-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107312495
2-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanol
CID 65316953
1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115801912
1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 107954021
1-(3-bromo-4-chlorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115566546
1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 113298218
1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053350
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
1-(4,5-dibromofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 65317285

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol (CID 115802065) is 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol is Cc1ccc(Br)c(C(O)Cc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol?
The InChIKey is OYXOYEDIYPKROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-9-2-4-13(16)12(6-9)15(19)8-10-7-11(17)3-5-14(10)18/h2-7,15,19H,8H2,1H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol?
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol has a molecular weight of 360.08 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 115802065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).