1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol

C14H10Br2ClFO — CID 115822735

IUPAC1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1cccc(Br)c1Cl
InChIInChI=1S/C14H10Br2ClFO/c15-9-4-8(5-10(18)7-9)6-13(19)11-2-1-3-12(16)14(11)17/h1-5,7,13,19H,6H2
InChIKeyNDZDRPYWWBCHOL-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.28
Rot. Bonds3

About 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol

1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol (PubChem CID 115822735) has the molecular formula C14H10Br2ClFO and a molecular weight of 408.49 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
PubChem CID115822735
Molecular FormulaC14H10Br2ClFO
Molecular Weight408.49 g/mol
Exact Mass405.88
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1cccc(Br)c1Cl
InChIInChI=1S/C14H10Br2ClFO/c15-9-4-8(5-10(18)7-9)6-13(19)11-2-1-3-12(16)14(11)17/h1-5,7,13,19H,6H2
InChIKeyNDZDRPYWWBCHOL-UHFFFAOYSA-N
XLogP5.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115822817
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822786
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol
CID 79702768
2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
CID 115822740
1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377688
1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 105115438
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 105115570
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol
CID 106274383
2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 79702447
2-(3-bromo-5-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79702038
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 115779442

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol (CID 115822735) is 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol is OC(Cc1cc(F)cc(Br)c1)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol?
The InChIKey is NDZDRPYWWBCHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClFO/c15-9-4-8(5-10(18)7-9)6-13(19)11-2-1-3-12(16)14(11)17/h1-5,7,13,19H,6H2.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol?
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol has a molecular weight of 408.49 g/mol, XLogP of 5.28, 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-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol is sourced from PubChem (CID 115822735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).