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

C14H18N2O2 — CID 63365749

IUPAC(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OCCCn2ccnc2)c1
InChIInChI=1S/C14H18N2O2/c1-12(17)13-4-2-5-14(10-13)18-9-3-7-16-8-6-15-11-16/h2,4-6,8,10-12,17H,3,7,9H2,1H3/t12-/m1/s1
InChIKeyCHYJUPOTTCTYIM-GFCCVEGCSA-N
MW246.31 g/mol
LogP2.41
Rot. Bonds6

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

(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol (PubChem CID 63365749) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
PubChem CID63365749
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OCCCn2ccnc2)c1
InChIInChI=1S/C14H18N2O2/c1-12(17)13-4-2-5-14(10-13)18-9-3-7-16-8-6-15-11-16/h2,4-6,8,10-12,17H,3,7,9H2,1H3/t12-/m1/s1
InChIKeyCHYJUPOTTCTYIM-GFCCVEGCSA-N
XLogP2.41
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-1-[3-(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-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
3-(3-imidazol-1-ylpropoxy)phenol
CID 61492833
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919
1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine
CID 60883624
1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494562
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
1-[4-(3-tert-butylphenoxy)butyl]imidazole
CID 2996393
ethyl 3-(3-imidazol-1-ylpropoxy)benzoate
CID 139771562
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 55191298

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol (CID 63365749) is (1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol is C[C@@H](O)c1cccc(OCCCn2ccnc2)c1.
What is the InChIKey of (1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
The InChIKey is CHYJUPOTTCTYIM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-12(17)13-4-2-5-14(10-13)18-9-3-7-16-8-6-15-11-16/h2,4-6,8,10-12,17H,3,7,9H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol?
(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol has a molecular weight of 246.31 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol is sourced from PubChem (CID 63365749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).