Basic information
- CAS
104007-80-9- Standard SMILES
COc1ccc2[nH]c(-c3cc(C)c(O)c(C)c3)c(C)c2c1- InChIKey
OZFHUMGEWVYBRM-UHFFFAOYSA-N- Molecular formula
- C18H19NO2
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.14157885
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-(4-Hydroxy-3,5-dimethylphenyl)-5-methoxy-3-methylindole
- IUPAC
- 4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethylphenol
- English name
- 2-(4-hydroxy-3,5-dimethylphenyl)-5-methoxy-3-methylindole
- Molecular weight
- 0
Names & synonyms
104007-80-92-(4-Hydroxy-3,5-dimethylphenyl)-5-methoxy-3-methylindoleDTXSID20146217Phenol, 4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethyl-RefChem:84418DTXCID3068708Tzi-411274-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethylphenolCHEMBL765864-(5-Methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethyl-phenolTzi 41127OZFHUMGEWVYBRM-UHFFFAOYSA-N
Show more names
GH878F6QQLSCHEMBL10459430BDBM50283452
Database identifiers
- CAS
104007-80-9- PubChem CID
- 128480
- DTXSID
DTXSID20146217- ChEMBL
CHEMBL76586- UNII
- GH878F6QQL
- Nikkaji
- J325.998F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Related reactions
2 records
Compound notes
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