Basic information
- CAS
18529-47-0- Standard SMILES
COc1cc2oc(=O)ccc2cc1/C=C/C(C)(C)O- InChIKey
LNFVZUMSDAIQDQ-VOTSOKGWSA-N- Molecular formula
- C15H16O4
- Average molar mass
- 260.28 g/mol
- Monoisotopic mass
- 260.10485899
Overview
(E)-Suberenol is a member of coumarins.
Names & identifiers
- Preferred name
- Suberenol
- IUPAC
- 6-[(E)-3-hydroxy-3-methylbut-1-enyl]-7-methoxychromen-2-one
- English name
- 6-[(E)-3-Hydroxy-3-methyl-1-butenyl]-7-methoxy-2H-1-benzopyran-2-one
- Molecular weight
- 0
Names & synonyms
Suberenol(E)-Suberenoltrans-Suberenol6-[(E)-3-hydroxy-3-methylbut-1-enyl]-7-methoxychromen-2-oneCoumarin, 6-(3-hydroxy-3-methyl-1-butenyl)-7-methoxy-, (E)-2H-1-Benzopyran-2-one, 6-(3-hydroxy-3-methyl-1-butenyl)-7-methoxy-, (E)-6-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]-7-methoxy-2H-chromen-2-one6-(3-Hydroxy-3-methyl-1-butenyl)-7-methoxy-(E)-Coumarin6-((E)-3-hydroxy-3-methylbut-1-enyl)-7-methoxychromen-2-one6-((1E)-3-hydroxy-3-methylbut-1-en-1-yl)-7-methoxy-2H-chromen-2-oneRefChem:186225LNFVZUMSDAIQDQ-VOTSOKGWSA-N
Show more names
6-[(E)-3-Hydroxy-3-methyl-1-butenyl]-7-methoxycoumarin
18529-47-06-[(E)-3-Hydroxy-3-methyl-1-butenyl]-7-methoxy-2H-1-benzopyran-2-oneTT3D5CTA3PSCHEMBL29156991SCHEMBL30018940CHEBI:174410DTXSID7013186297-METHOXY-6-(3-METHYL-3-OXIDANYL-BUT-1-ENYL)CHROMEN-2-ONE
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 397
Experimental & physicochemical properties
Melting Point173 °C
Physical DescriptionSolid
Physicochemical properties
- LogP
- 2.042 · 2.042 (est)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: (E)-Suberenol is a member of coumarins.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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