2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol

C17H16BrFO — CID 115826460

IUPAC2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol
SMILESOC(Cc1cccc(F)c1Br)C1CC1c1ccccc1
InChIInChI=1S/C17H16BrFO/c18-17-12(7-4-8-15(17)19)9-16(20)14-10-13(14)11-5-2-1-3-6-11/h1-8,13-14,16,20H,9-10H2
InChIKeyARFTXDBSJYWBBQ-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.30
Rot. Bonds4

About 2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol

2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol (PubChem CID 115826460) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol
PubChem CID115826460
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol
SMILESOC(Cc1cccc(F)c1Br)C1CC1c1ccccc1
InChIInChI=1S/C17H16BrFO/c18-17-12(7-4-8-15(17)19)9-16(20)14-10-13(14)11-5-2-1-3-6-11/h1-8,13-14,16,20H,9-10H2
InChIKeyARFTXDBSJYWBBQ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)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-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol
CID 107192743
(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
CID 11769104
3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol
CID 103456877
3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol
CID 103459440
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-bromo-3-fluorophenyl)ethanol
CID 115826409
2-(2-bromo-3-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 115826491
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452391
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
2-(3-fluorophenyl)sulfanyl-1-(2-phenylcyclopropyl)ethanol
CID 116517231
1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol
CID 115826470
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452055
[2-(2-bromophenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105215061

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol (CID 115826460) is 2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol is OC(Cc1cccc(F)c1Br)C1CC1c1ccccc1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol?
The InChIKey is ARFTXDBSJYWBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c18-17-12(7-4-8-15(17)19)9-16(20)14-10-13(14)11-5-2-1-3-6-11/h1-8,13-14,16,20H,9-10H2.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol?
2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol has a molecular weight of 335.22 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol is sourced from PubChem (CID 115826460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).