(1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol

C14H17BrN2O2 — CID 102948559

IUPAC(1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Br)cc1OCCCn1ccnc1
InChIInChI=1S/C14H17BrN2O2/c1-11(18)13-4-3-12(15)9-14(13)19-8-2-6-17-7-5-16-10-17/h3-5,7,9-11,18H,2,6,8H2,1H3/t11-/m1/s1
InChIKeyJRHIVLPETRMDNK-LLVKDONJSA-N
MW325.21 g/mol
LogP3.17
Rot. Bonds6

About (1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol

(1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol (PubChem CID 102948559) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol
PubChem CID102948559
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name(1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Br)cc1OCCCn1ccnc1
InChIInChI=1S/C14H17BrN2O2/c1-11(18)13-4-3-12(15)9-14(13)19-8-2-6-17-7-5-16-10-17/h3-5,7,9-11,18H,2,6,8H2,1H3/t11-/m1/s1
InChIKeyJRHIVLPETRMDNK-LLVKDONJSA-N
XLogP3.17
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]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-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
CID 82001092
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole
CID 2996043
1-(4-bromo-2-octoxyphenyl)ethanol
CID 102948186
1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine
CID 63064237
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 63365749
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
CID 102948400
(1S)-1-[4-bromo-2-(3-methylsulfonylpropoxy)phenyl]ethanol
CID 102948973
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanol
CID 102948566
(1S)-1-[4-bromo-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanol
CID 102949111
1-[4-bromo-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanol
CID 102948295

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol (CID 102948559) is (1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol is C[C@@H](O)c1ccc(Br)cc1OCCCn1ccnc1.
What is the InChIKey of (1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
The InChIKey is JRHIVLPETRMDNK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-11(18)13-4-3-12(15)9-14(13)19-8-2-6-17-7-5-16-10-17/h3-5,7,9-11,18H,2,6,8H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
(1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol has a molecular weight of 325.21 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]ethanol is sourced from PubChem (CID 102948559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).