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

C14H11Br2FO — CID 63017169

IUPAC1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol
SMILESOC(Cc1cccc(Br)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H11Br2FO/c15-11-3-1-2-9(4-11)5-14(18)10-6-12(16)8-13(17)7-10/h1-4,6-8,14,18H,5H2
InChIKeyTUMMYAWNQOZPII-UHFFFAOYSA-N
MW374.05 g/mol
LogP4.63
Rot. Bonds3

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

1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol (PubChem CID 63017169) has the molecular formula C14H11Br2FO and a molecular weight of 374.05 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol
PubChem CID63017169
Molecular FormulaC14H11Br2FO
Molecular Weight374.05 g/mol
Exact Mass371.92
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol
SMILESOC(Cc1cccc(Br)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H11Br2FO/c15-11-3-1-2-9(4-11)5-14(18)10-6-12(16)8-13(17)7-10/h1-4,6-8,14,18H,5H2
InChIKeyTUMMYAWNQOZPII-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.05
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol
CID 104736133
2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol
CID 107978121
(1R)-1-(3-bromo-5-fluorophenyl)-2-(4-methoxy-3-methylphenyl)ethanol
CID 68626598
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
2-(2-bromo-5-fluorophenyl)-1-(3-bromophenyl)ethanol
CID 62606497
1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol
CID 106941936
1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol
CID 66423442
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373495
1-(3-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883507
2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 55135398
2-(3-bromophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721739

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol (CID 63017169) is 1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol is OC(Cc1cccc(Br)c1)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol?
The InChIKey is TUMMYAWNQOZPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FO/c15-11-3-1-2-9(4-11)5-14(18)10-6-12(16)8-13(17)7-10/h1-4,6-8,14,18H,5H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol?
1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol has a molecular weight of 374.05 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol is sourced from PubChem (CID 63017169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).