2-[(3-Methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]acetic acid propan-2-yl ester
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Basic information
- CAS
307550-47-6- Standard SMILES
Cc1cc(OCC(=O)OC(C)C)c2c3c(c(=O)oc2c1)CCCC3- InChIKey
BEDXARYXRBYZRP-UHFFFAOYSA-N- Molecular formula
- C19H22O5
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.1467238
Overview
2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]acetic acid propan-2-yl ester is a member of coumarins and an isopropyl ester.
Names & identifiers
- Preferred name
- 2-[(3-Methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]acetic acid propan-2-yl ester
- IUPAC
- propan-2-yl 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetate
- English name
- propan-2-yl 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetate
- Molecular formula
- C19H22O5
- Molecular weight
- 330.38
Names & synonyms
2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]acetic acid propan-2-yl ester307550-47-6propan-2-yl 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetateSMR000104544ChemDiv1_022513Oprea1_769089MLS000108590MLS002540429CHEMBL1484692HMS650P07CHEBI:107826HMS2164J19
Show more names
Acetic acid, 2-[(7,8,9,10-tetrahydro-3-methyl-6-oxo-6H-dibenzo[b,d]pyran-1-yl)oxy]-, 1-methylethyl ester
HMS3318N19CCG-17293STK829277AKOS001632835SR-01000444457SR-01000444457-1Q27186162ISOPROPYL ((3-ME-6-OXO-7,8,9,10-TETRAHYDRO-6H-BENZO(C)CHROMEN-1-YL)OXY)ACETATE
Database identifiers
- CAS
307550-47-6- PubChem CID
- 701960
- ChEMBL
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 536
Chemistry & industry
Additional notes
DefinitionChEBI: 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]acetic acid propan-2-yl ester is a member of coumarins and an isopropyl ester.
Related reactions
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Compound notes
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