2H-1-Benzopyran-2-one, 7-(1-methylethoxy)-

HCID 768650

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Basic information

CAS: 87980-63-0
Standard SMILES: CC(C)Oc1ccc2ccc(=O)oc2c1
InChIKey: XQYLBTNCDDGLDJ-UHFFFAOYSA-N
Molecular formula: C12H12O3
Average molar mass: 204.22 g/mol
Monoisotopic mass: 204.07864424

Names & identifiers

Preferred name: 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)-
IUPAC: 7-propan-2-yloxychromen-2-one

Names & synonyms

7-isopropoxy-2H-chromen-2-one87980-63-02H-1-Benzopyran-2-one, 7-(1-methylethoxy)-7-ISOPROPOXYCOUMARIN7-[(Propan-2-yl)oxy]-2H-1-benzopyran-2-one7-propan-2-yloxychromen-2-oneCHEMBL2268534SCHEMBL14329508DTXSID703543207-ISOPROPOXYCHROMEN-2-ONEHMS1686E07MFCD01334842

Show more names

AKOS000532242SY300593ST50462859AG-690/40639111

Database identifiers

CAS: 87980-63-0
PubChem CID: 768650
DTXSID: DTXSID70354320
ChEMBL: CHEMBL2268534

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 270

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