(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol

C14H18N2O — CID 103960371

IUPAC(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol
SMILESCCc1nccn1-c1ccccc1[C@@H](O)CC
InChIInChI=1S/C14H18N2O/c1-3-13(17)11-7-5-6-8-12(11)16-10-9-15-14(16)4-2/h5-10,13,17H,3-4H2,1-2H3/t13-/m0/s1
InChIKeyAUQXYHORUUZPSY-ZDUSSCGKSA-N
MW230.31 g/mol
LogP2.88
Rot. Bonds4

About (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol

(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol (PubChem CID 103960371) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol
PubChem CID103960371
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol
SMILESCCc1nccn1-c1ccccc1[C@@H](O)CC
InChIInChI=1S/C14H18N2O/c1-3-13(17)11-7-5-6-8-12(11)16-10-9-15-14(16)4-2/h5-10,13,17H,3-4H2,1-2H3/t13-/m0/s1
InChIKeyAUQXYHORUUZPSY-ZDUSSCGKSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-propylimidazol-1-yl)phenyl]propan-1-ol
CID 112679064
(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine
CID 113358871
1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine
CID 61405160
1-[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 55109330
(1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine
CID 103959121
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
1-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744422
1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-ol
CID 112680041
3-chloro-4-(2-ethylimidazol-1-yl)benzenecarboximidamide
CID 63089231
(1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
CID 103960386
2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium
CID 174757497
(1R)-1-[2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103960079

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol (CID 103960371) is (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol is CCc1nccn1-c1ccccc1[C@@H](O)CC.
What is the InChIKey of (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol?
The InChIKey is AUQXYHORUUZPSY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-13(17)11-7-5-6-8-12(11)16-10-9-15-14(16)4-2/h5-10,13,17H,3-4H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol?
(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 103960371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).