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Documentation2,4-Dimethylphenol
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM01062 |
| SMILES |
Cc1ccc(O)c(C)c1
|
| InChIKey |
KUFFULVDNCHOFZ-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
7771
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
2-methylphenol
Similarity: 0.7355
Similarity to 2-methylphenol
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8476 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 8
Total passive interactions
|
| LogP: | 1.7 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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P-Cresol
Similarity: 0.6198
Similarity to P-Cresol
| Tanimoto metric | 0.6198 |
|---|---|
| Cosine metric | 0.7873 |
| Dice metric | 0.7653 |
| MW: | 108.14 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
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| LogP: | 1.7 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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3,4-Xylenol
Similarity: 0.5584
Similarity to 3,4-Xylenol
| Tanimoto metric | 0.5584 |
|---|---|
| Cosine metric | 0.7167 |
| Dice metric | 0.7167 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 6
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+24 more
