2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol

C14H11BrCl2O — CID 63518260

IUPAC2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11BrCl2O/c15-11-3-1-9(2-4-11)5-14(18)10-6-12(16)8-13(17)7-10/h1-4,6-8,14,18H,5H2
InChIKeyMULKQWJCZJKUGF-UHFFFAOYSA-N
MW346.05 g/mol
LogP5.03
Rot. Bonds3

About 2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol

2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol (PubChem CID 63518260) has the molecular formula C14H11BrCl2O and a molecular weight of 346.05 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol
PubChem CID63518260
Molecular FormulaC14H11BrCl2O
Molecular Weight346.05 g/mol
Exact Mass343.94
IUPAC Name2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H11BrCl2O/c15-11-3-1-9(2-4-11)5-14(18)10-6-12(16)8-13(17)7-10/h1-4,6-8,14,18H,5H2
InChIKeyMULKQWJCZJKUGF-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.05
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 63519476
2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 63519474
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 62790115
1-(4-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883490
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
2-(4-bromophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 81323419
2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol
CID 107978121
1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 107947341
1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 114454050
1-(3,5-dichlorophenyl)-2-pyridin-3-ylethanol
CID 113446836
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
CID 102830220

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol (CID 63518260) is 2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol is OC(Cc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol?
The InChIKey is MULKQWJCZJKUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2O/c15-11-3-1-9(2-4-11)5-14(18)10-6-12(16)8-13(17)7-10/h1-4,6-8,14,18H,5H2.
What are the key properties of 2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol?
2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol has a molecular weight of 346.05 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3,5-dichlorophenyl)ethanol is sourced from PubChem (CID 63518260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).