2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol

C15H20BrFO2 — CID 116753489

IUPAC2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol
SMILESCOC1(C(O)Cc2ccc(Br)cc2F)CCCCC1
InChIInChI=1S/C15H20BrFO2/c1-19-15(7-3-2-4-8-15)14(18)9-11-5-6-12(16)10-13(11)17/h5-6,10,14,18H,2-4,7-9H2,1H3
InChIKeyODYXKQGDHFJKCP-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.84
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol

2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol (PubChem CID 116753489) has the molecular formula C15H20BrFO2 and a molecular weight of 331.23 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol
PubChem CID116753489
Molecular FormulaC15H20BrFO2
Molecular Weight331.23 g/mol
Exact Mass330.06
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol
SMILESCOC1(C(O)Cc2ccc(Br)cc2F)CCCCC1
InChIInChI=1S/C15H20BrFO2/c1-19-15(7-3-2-4-8-15)14(18)9-11-5-6-12(16)10-13(11)17/h5-6,10,14,18H,2-4,7-9H2,1H3
InChIKeyODYXKQGDHFJKCP-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)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-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710611
2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 116755725
2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710491
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755817
2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755966
2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767753
2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol
CID 104800613
2-(4-fluorophenyl)-1-(1-methoxycyclopentyl)ethanol
CID 104610295
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol
CID 104610489
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116707049

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol (CID 116753489) is 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol is COC1(C(O)Cc2ccc(Br)cc2F)CCCCC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol?
The InChIKey is ODYXKQGDHFJKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO2/c1-19-15(7-3-2-4-8-15)14(18)9-11-5-6-12(16)10-13(11)17/h5-6,10,14,18H,2-4,7-9H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol?
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol has a molecular weight of 331.23 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol is sourced from PubChem (CID 116753489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).