2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol

C17H16BrFO — CID 79979846

IUPAC2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H16BrFO/c18-15-7-11(8-16(19)10-15)9-17(20)14-5-3-13(4-6-14)12-1-2-12/h3-8,10,12,17,20H,1-2,9H2
InChIKeyJCJAOOQKYVHWNC-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.74
Rot. Bonds4

About 2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol

2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol (PubChem CID 79979846) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
PubChem CID79979846
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H16BrFO/c18-15-7-11(8-16(19)10-15)9-17(20)14-5-3-13(4-6-14)12-1-2-12/h3-8,10,12,17,20H,1-2,9H2
InChIKeyJCJAOOQKYVHWNC-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)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

2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980174
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980726
1-(4-cyclopropylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 79980804
2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 107883644
1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol
CID 114931089
2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 79702145
1-(4-cyclopropylphenyl)-2-(4-iodophenyl)ethanol
CID 79981039
1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 79973379
1-(4-bromo-2,6-difluorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822678
1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine
CID 116506014
2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 79702447

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol (CID 79979846) is 2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol is OC(Cc1cc(F)cc(Br)c1)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol?
The InChIKey is JCJAOOQKYVHWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c18-15-7-11(8-16(19)10-15)9-17(20)14-5-3-13(4-6-14)12-1-2-12/h3-8,10,12,17,20H,1-2,9H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol has a molecular weight of 335.22 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol is sourced from PubChem (CID 79979846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).