2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol

C14H12BrClO — CID 60797337

IUPAC2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClO/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2
InChIKeyDEDQKJKPEJJKKD-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.38
Rot. Bonds3

About 2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol

2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol (PubChem CID 60797337) has the molecular formula C14H12BrClO and a molecular weight of 311.61 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol
PubChem CID60797337
Molecular FormulaC14H12BrClO
Molecular Weight311.61 g/mol
Exact Mass309.98
IUPAC Name2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClO/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2
InChIKeyDEDQKJKPEJJKKD-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol (CID 60797337) is 2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol is OC(Cc1ccc(Br)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol?
The InChIKey is DEDQKJKPEJJKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2.
What are the key properties of 2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol?
2-(4-bromophenyl)-1-(4-chlorophenyl)ethanol has a molecular weight of 311.61 g/mol, XLogP of 4.38, 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-(4-chlorophenyl)ethanol is sourced from PubChem (CID 60797337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).