1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol

C13H17BrO2 — CID 103557499

IUPAC1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol
SMILESCOC1(CC(O)c2ccc(Br)cc2)CCC1
InChIInChI=1S/C13H17BrO2/c1-16-13(7-2-8-13)9-12(15)10-3-5-11(14)6-4-10/h3-6,12,15H,2,7-9H2,1H3
InChIKeyZOIPJQMYSJEPQU-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.44
Rot. Bonds4

About 1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol

1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol (PubChem CID 103557499) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol
PubChem CID103557499
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol
SMILESCOC1(CC(O)c2ccc(Br)cc2)CCC1
InChIInChI=1S/C13H17BrO2/c1-16-13(7-2-8-13)9-12(15)10-3-5-11(14)6-4-10/h3-6,12,15H,2,7-9H2,1H3
InChIKeyZOIPJQMYSJEPQU-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-2-(1-methoxycyclobutyl)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

1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557502
1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene
CID 103557717
2-(1-methoxycyclobutyl)-1-(4-propylphenyl)ethanol
CID 103557531
6-[1-hydroxy-2-(1-methoxycyclobutyl)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 103557518
1-(3-cyclobutylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103560284
1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol
CID 103557536
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556161
1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557562
1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557600
2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 103556298
1-(3-bromo-4-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-ol
CID 103560049

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol (CID 103557499) is 1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol is COC1(CC(O)c2ccc(Br)cc2)CCC1.
What is the InChIKey of 1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol?
The InChIKey is ZOIPJQMYSJEPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-16-13(7-2-8-13)9-12(15)10-3-5-11(14)6-4-10/h3-6,12,15H,2,7-9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol?
1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol has a molecular weight of 285.18 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol is sourced from PubChem (CID 103557499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).