1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol

C14H10BrCl2FO — CID 105399377

IUPAC1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C14H10BrCl2FO/c15-11-7-13(18)10(6-12(11)17)14(19)5-8-1-3-9(16)4-2-8/h1-4,6-7,14,19H,5H2
InChIKeyUOEBCZMIPQXFOQ-UHFFFAOYSA-N
MW364.04 g/mol
LogP5.17
Rot. Bonds3

About 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol

1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol (PubChem CID 105399377) has the molecular formula C14H10BrCl2FO and a molecular weight of 364.04 g/mol. Its IUPAC name is 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol
PubChem CID105399377
Molecular FormulaC14H10BrCl2FO
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C14H10BrCl2FO/c15-11-7-13(18)10(6-12(11)17)14(19)5-8-1-3-9(16)4-2-8/h1-4,6-7,14,19H,5H2
InChIKeyUOEBCZMIPQXFOQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944
1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene
CID 105399766
1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol
CID 107538431
1-bromo-4-[1-bromo-2-(3-chlorophenyl)ethyl]-2-chloro-5-fluorobenzene
CID 105400119
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-chlorophenyl)methanol
CID 107991356
1-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)ethanol
CID 63016785
2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115790919
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103039131
1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65148286
1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82919458
1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 115779651
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol (CID 105399377) is 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol is OC(Cc1ccc(Cl)cc1)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol?
The InChIKey is UOEBCZMIPQXFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FO/c15-11-7-13(18)10(6-12(11)17)14(19)5-8-1-3-9(16)4-2-8/h1-4,6-7,14,19H,5H2.
What are the key properties of 1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol?
1-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)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-(4-bromo-5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethanol is sourced from PubChem (CID 105399377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).