7-Iodobenzovesamicol
Basic information
- CAS
156558-61-1- Standard SMILES
O[C@H]1Cc2cc(I)ccc2C[C@H]1N1CCC(c2ccccc2)CC1- InChIKey
MTVLLGKCGSPPQQ-RTWAWAEBSA-N- Molecular formula
- C21H24INO
- Average molar mass
- 433.3 g/mol
- Monoisotopic mass
- 433.09026
Overview
RN refers to (+)-stereoisomer
Names & identifiers
- Preferred name
- 7-Iodobenzovesamicol
- IUPAC
- (2S,3R)-7-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
- English name
- 7-iodobenzovesamicol
- Molecular formula
- C21H24INO
- Molecular weight
- 433.33
Names & synonyms
7-Iodobenzovesamicol7-Ibvm156558-61-1DTXSID20166096RefChem:106258DTXCID6088587(2S,3R)-7-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol(2S-cis)-1,2,3,4-Tetrahydro-7-iodo-3-(4-phenyl-1-piperdinyl)-2-naphthalenol1,2,3,4-Tetrahydro-7-iodo-3-(4-phenyl-1-piperdinyl)-2-naphthalenol (2S-cis)-1,2,3,4-Tetrahydro-7-iodo-3-(4-phenyl-1-piperidinyl)-2-naphthalenol (2S-cis)-2-Naphthalenol, 1,2,3,4-tetrahydro-7-iodo-3-(4-phenyl-1-piperdinyl)-, (2S-cis)-2-Naphthalenol, 1,2,3,4-tetrahydro-7-iodo-3-(4-phenyl-1-piperidinyl)-, (2S-cis)-
Show more names
2-Naphthalenol, 1,2,3,4-tetrahydro-7-iodo-3-(4-phenyl-1-piperidinyl)-, (2S-cis)- (9CI)
Database identifiers
- CAS
156558-61-1- PubChem CID
- 133013
- DTXSID
DTXSID20166096
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 403
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Related reactions
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Compound notes
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