Basic information
- CAS
102651-69-4- Standard SMILES
CCCCCC(C)Oc1ccc(C2CCCC(O)C2)c2[nH]ccc12- InChIKey
DXXCPIUNUQXSEP-UHFFFAOYSA-N- Molecular formula
- C21H31NO2
- Average molar mass
- 329.5 g/mol
- Monoisotopic mass
- 329.23547923
Overview
RN given from first source for (Z)-isomer; RN not in Chemline 9/86; structure given in first source
Names & identifiers
- Preferred name
- 4-(2-Heptyloxy)-7-(3-hydroxycyclohexyl)indole
- IUPAC
- 3-(4-heptan-2-yloxy-1H-indol-7-yl)cyclohexan-1-ol
- English name
- 4-(2-Heptyloxy)-7-(3-hydroxycyclohexyl)indole
- Molecular weight
- 0
Names & synonyms
102651-69-4HOCHI4-(2-Heptyloxy)-7-(3-hydroxycyclohexyl)indoleRefChem:970563-(4-heptan-2-yloxy-1H-indol-7-yl)cyclohexan-1-ol3-(4-(Heptan-2-yloxy)-1H-indol-7-yl)cyclohexanolSCHEMBL29424592DTXSID909079733-{4-[(Heptan-2-yl)oxy]-1H-indol-7-yl}cyclohexan-1-olCyclohexanol, 3-(4-((1-methylhexyl)oxy)-1H-indol-7-yl)-
Database identifiers
- CAS
102651-69-4- PubChem CID
- 128142
- DTXSID
DTXSID90907973
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 375
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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