2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol

C14H12BrClO — CID 60797873

IUPAC2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
SMILESOC(Cc1cccc(Br)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H12BrClO/c15-12-5-1-3-10(7-12)8-14(17)11-4-2-6-13(16)9-11/h1-7,9,14,17H,8H2
InChIKeyXTHBKJUQXUEBQT-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.38
Rot. Bonds3

About 2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol

2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol (PubChem CID 60797873) has the molecular formula C14H12BrClO and a molecular weight of 311.61 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
PubChem CID60797873
Molecular FormulaC14H12BrClO
Molecular Weight311.61 g/mol
Exact Mass309.98
IUPAC Name2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
SMILESOC(Cc1cccc(Br)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H12BrClO/c15-12-5-1-3-10(7-12)8-14(17)11-4-2-6-13(16)9-11/h1-7,9,14,17H,8H2
InChIKeyXTHBKJUQXUEBQT-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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Related Compounds

2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol
CID 107978121
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952
2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527783
2-(3-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105077529
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
1-(3-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883507
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene
CID 66041720
1-(3-bromo-4-methylphenyl)-2-(3-bromophenyl)ethanol
CID 81488750
2-(3-bromophenyl)-1-(3-ethoxyphenyl)ethanol
CID 60798972
2-(3-bromophenyl)-1-(2-chlorophenyl)ethanol
CID 61029924

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol?
The IUPAC name of 2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol (CID 60797873) is 2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol?
The canonical SMILES for 2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol is OC(Cc1cccc(Br)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol?
The InChIKey is XTHBKJUQXUEBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO/c15-12-5-1-3-10(7-12)8-14(17)11-4-2-6-13(16)9-11/h1-7,9,14,17H,8H2.
What are the key properties of 2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol?
2-(3-bromophenyl)-1-(3-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-(3-bromophenyl)-1-(3-chlorophenyl)ethanol is sourced from PubChem (CID 60797873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).