Basic information
- CAS
5188-50-1- Standard SMILES
CCCCC1(CCCC)Oc2cc(OC(C)=O)ccc2C(C)=C1c1ccc(OC)cc1- InChIKey
CETLNFWQTHLCEA-UHFFFAOYSA-N- Molecular formula
- C27H34O4
- Average molar mass
- 422.6 g/mol
- Monoisotopic mass
- 422.24570956
Overview
2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate is a member of the class of chromenes that is 2H-1-benzopyran-7-ol acetate substituted butyl groups at positions 2 and 2, a methyl group at position 4 and a 4-methoxyphenyl group at position 3 respectively. It is a member of chromenes, a monomethoxybenzene and an acetate ester.
Names & identifiers
- Preferred name
- 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate
- IUPAC
- [2,2-dibutyl-3-(4-methoxyphenyl)-4-methylchromen-7-yl] acetate
- English name
- [2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-chromen-7-yl] acetate
- Molecular formula
- C27H34O4
- Molecular weight
- 422.56
Names & synonyms
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetateCHEBI:795812,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-yl acetateRefChem:809645188-50-1[2,2-dibutyl-3-(4-methoxyphenyl)-4-methylchromen-7-yl] acetateSCHEMBL31106891DTXSID70292172NSC80630NSC-806302H-1-Benzopyran-7-ol,2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-, 7-acetateDS-013287
Show more names
[2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-chromen-7-yl] acetate2H-1-Benzopyran-7-ol, 2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-, 7-acetate
Q27148696
Database identifiers
- CAS
5188-50-1- PubChem CID
- 255271
- DTXSID
DTXSID70292172
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 609
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Additional notes
DefinitionChEBI: 2,2-dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate is a member of the class of chromenes that is 2H-1-benzopyran-7-ol acetate substituted butyl groups at positions 2 and 2, a methyl group at position 4 and a 4-methoxyphenyl group at position 3 respectively. It is an acetate ester, a member of chromenes and a monomethoxybenzene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…