OH4
Summary
Name: | {2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol |
Formula: | C14 H18 N2 O2 |
Formal charge: | 0 |
Formula weight: | 246.305 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | {2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol |
OpenEye OEToolkits | 2.0.7 | [2-[(3~{S})-3-methoxy-3-phenyl-propyl]-1~{H}-imidazol-4-yl]methanol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c(CCC(c1ccccc1)OC)nc(c2)CO |
InChI | InChI | 1.03 | InChI=1S/C14H18N2O2/c1-18-13(11-5-3-2-4-6-11)7-8-14-15-9-12(10-17)16-14/h2-6,9,13,17H,7-8,10H2,1H3,(H,15,16)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | CXHFIZNFHVDWKU-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H](CCc1[nH]cc(CO)n1)c2ccccc2 |
SMILES | CACTVS | 3.385 | CO[CH](CCc1[nH]cc(CO)n1)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO[C@@H](CCc1[nH]cc(n1)CO)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(CCc1[nH]cc(n1)CO)c2ccccc2 |