1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol

C14H10BrCl2FO — CID 107954021

IUPAC1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C14H10BrCl2FO/c15-11-3-1-2-10(14(11)18)13(19)7-8-6-9(16)4-5-12(8)17/h1-6,13,19H,7H2
InChIKeyXTMOGNSNOJLVBA-UHFFFAOYSA-N
MW364.04 g/mol
LogP5.17
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol

1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol (PubChem CID 107954021) has the molecular formula C14H10BrCl2FO and a molecular weight of 364.04 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
PubChem CID107954021
Molecular FormulaC14H10BrCl2FO
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
SMILESOC(Cc1cc(Cl)ccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C14H10BrCl2FO/c15-11-3-1-2-10(14(11)18)13(19)7-8-6-9(16)4-5-12(8)17/h1-6,13,19H,7H2
InChIKeyXTMOGNSNOJLVBA-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.04
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-2-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 106645174
1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 107954110
1-(3-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047803
1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802037
1-(3-bromo-2-fluorophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 107954007
1-(3-bromo-2-fluorophenyl)-2-(2,4-difluorophenyl)ethanol
CID 106645063
1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 105100365
1-(3-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107953888
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839758
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802065
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103048373
1-(3-bromo-2-fluorophenyl)-2-phenylethanol
CID 106644408

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol (CID 107954021) is 1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol is OC(Cc1cc(Cl)ccc1Cl)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol?
The InChIKey is XTMOGNSNOJLVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FO/c15-11-3-1-2-10(14(11)18)13(19)7-8-6-9(16)4-5-12(8)17/h1-6,13,19H,7H2.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol?
1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol has a molecular weight of 364.04 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 107954021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).