2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol
Basic information
- CAS
5218-93-9- Standard SMILES
CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(O)ccc21- InChIKey
YHXWLHMIDZAYPE-UHFFFAOYSA-N- Molecular formula
- C20H22O3
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.15689456
Overview
2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol is a member of the class of chromenes that is 2H-1-benzopyran substituted by methyl groups at positions 2 and 2, an ethyl group at position 4, a hydroxy group at position 7 and a 4-methoxyphenyl group at position 3 respectively. It is a member of chromenes, a monomethoxybenzene and a member of phenols.
Names & identifiers
- Preferred name
- 2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol
- IUPAC
- 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethylchromen-7-ol
Names & synonyms
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-2H-1-benzopyran-7-ol5218-93-9CHEBI:79574DTXSID102921714-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-2H-1-benzopyran-7-ol4-ethyl-3-(4-methoxy-phenyl)-2,2-dimethyl-2H-chromen-7-olRefChem:81049DTXCID402433134-ethyl-3-(4-methoxyphenyl)-2,2-dimethylchromen-7-olNSC80626NSC-80626Q27148688
Database identifiers
- CAS
5218-93-9- PubChem CID
- 255267
- DTXSID
DTXSID10292171- ChEBI
CHEBI:79574- Nikkaji
- J2.791.775E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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