1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol

C14H11BrClFO — CID 81307399

IUPAC1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H11BrClFO/c15-12-5-4-10(8-13(12)16)14(18)7-9-2-1-3-11(17)6-9/h1-6,8,14,18H,7H2
InChIKeyIRQVSWLRMUSKRE-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.52
Rot. Bonds3

About 1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol

1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol (PubChem CID 81307399) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
PubChem CID81307399
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H11BrClFO/c15-12-5-4-10(8-13(12)16)14(18)7-9-2-1-3-11(17)6-9/h1-6,8,14,18H,7H2
InChIKeyIRQVSWLRMUSKRE-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 115779651
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol
CID 114980844
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 80532302
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053459
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839745
1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol
CID 107477080
1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol
CID 115833417
2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluorophenyl)ethanol
CID 61088048
[1-(4-bromo-3-chlorophenyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413118
1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 81447982

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol (CID 81307399) is 1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol is OC(Cc1cccc(F)c1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol?
The InChIKey is IRQVSWLRMUSKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c15-12-5-4-10(8-13(12)16)14(18)7-9-2-1-3-11(17)6-9/h1-6,8,14,18H,7H2.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol?
1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol has a molecular weight of 329.60 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 81307399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).