1-imidazol-1-yl-3-phenoxypropan-2-ol

C12H14N2O2 — CID 2827484

IUPAC1-imidazol-1-yl-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)Cn1ccnc1
InChIInChI=1S/C12H14N2O2/c15-11(8-14-7-6-13-10-14)9-16-12-4-2-1-3-5-12/h1-7,10-11,15H,8-9H2
InChIKeyDSFOAKHPYWESFX-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.32
Rot. Bonds5

About 1-imidazol-1-yl-3-phenoxypropan-2-ol

1-imidazol-1-yl-3-phenoxypropan-2-ol (PubChem CID 2827484) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-3-phenoxypropan-2-ol
PubChem CID2827484
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-imidazol-1-yl-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)Cn1ccnc1
InChIInChI=1S/C12H14N2O2/c15-11(8-14-7-6-13-10-14)9-16-12-4-2-1-3-5-12/h1-7,10-11,15H,8-9H2
InChIKeyDSFOAKHPYWESFX-UHFFFAOYSA-N
XLogP1.32
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Imiloxan
CID 133621
Imiloxan hydrochloride
CID 172975
1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
2-Propanol, 3-(dimethylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069781
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2-methylphenoxy)ethyl]-1H-imidazole
CID 868346
1-[2-(4-Methoxyphenoxy)ethyl]imidazole
CID 868397
1-[2-(2-methoxyphenoxy)ethyl]-1H-imidazole
CID 868517
1-[3-(2-chlorophenoxy)propyl]-1H-imidazole
CID 2843672
1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814
1-(4-bromophenoxy)-3-(1H-imidazol-1-yl)propan-2-ol
CID 2953277
Cambridge id 6865961
CID 2804749

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-phenoxypropan-2-ol?
The IUPAC name of 1-imidazol-1-yl-3-phenoxypropan-2-ol (CID 2827484) is 1-imidazol-1-yl-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-3-phenoxypropan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-3-phenoxypropan-2-ol is OC(COc1ccccc1)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3-phenoxypropan-2-ol?
The InChIKey is DSFOAKHPYWESFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11(8-14-7-6-13-10-14)9-16-12-4-2-1-3-5-12/h1-7,10-11,15H,8-9H2.
What are the key properties of 1-imidazol-1-yl-3-phenoxypropan-2-ol?
1-imidazol-1-yl-3-phenoxypropan-2-ol has a molecular weight of 218.26 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-phenoxypropan-2-ol is sourced from PubChem (CID 2827484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).