2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid
Basic information
- CAS
530-77-8- Standard SMILES
O=C(O)C1CCCCC1Cc1cc(I)c(O)c(I)c1- InChIKey
BGDIOASGXLPOBQ-UHFFFAOYSA-N- Molecular formula
- C14H16I2O3
- Average molar mass
- 486.08 g/mol
- Monoisotopic mass
- 485.91889
Names & identifiers
- Preferred name
- 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid
- IUPAC
- 2-[(4-hydroxy-3,5-diiodophenyl)methyl]cyclohexane-1-carboxylic acid
- English name
- Monophen
- Molecular formula
- C14H16I2O3
- Molecular weight
- 486.08
Names & synonyms
Monophen530-77-82-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acidBRN 3368153UNII-01WCB476562-(4-Hydroxy-3,5-dijodbenzyl)cyclohexancarbonsaeure [German]01WCB476562-(4-Hydroxy-3,5-diiodbenzyl)-1-cyclohexancarbonsaeure3-10-00-00911 (Beilstein Handbook Reference)2-(4-Hydroxy-3,5-dijodbenzyl)cyclohexancarbonsaeureCyclohexanecarboxylic acid, 2-(3,5-diiodo-4-hydroxybenzyl)-2-(4-HYDROXY-3,5-DIIODOBENZYL)CYCLOHEXANECARBOXYLIC ACID
Show more names
2-[(4-Hydroxy-3,5-diiodophenyl)methyl]cyclohexanecarboxylic acidCyclohexanecarboxylic acid, 2-[(4-hydroxy-3,5-diiodophenyl)methyl]-
CYCLOHEXANECARBOXYLIC ACID, 2-(4-HYDROXY-3,5-DIIODOBENZYL)-RefChem:197572(+-)-2-(3,5-DIIODO-4-HYDROXYBENZYL)CYCLOHEXANECARBOXYLIC ACID2-[(4-hydroxy-3,5-diiodophenyl)methyl]cyclohexane-1-carboxylic acidCyclohexanecarboxylic acid, 2-((4-hydroxy-3,5-diiodophenyl)methyl)-SCHEMBL4579456DTXSID10967478Q27231459
Database identifiers
- CAS
530-77-8- PubChem CID
- 10746
- DTXSID
DTXSID10967478- UNII
- 01WCB47656
- Nikkaji
- J6.974D
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- FDA UNII
- 1 WCB47656 · 01WCB47656
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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