3-ethyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one

HCID 5400565

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Basic information

CAS: 31575-15-2
Standard SMILES: CCc1c(C)c2ccc(O)c(C)c2oc1=O
InChIKey: GNXXGLPSRSIGOY-UHFFFAOYSA-N
Molecular formula: C13H14O3
Average molar mass: 218.25 g/mol
Monoisotopic mass: 218.0942943

Names & identifiers

Preferred name: 3-ethyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one
IUPAC: 3-ethyl-7-hydroxy-4,8-dimethylchromen-2-one
English name: 3-ethyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one
Molecular formula: C13H14O3
Molecular weight: 218.25

Names & synonyms

3-ethyl-7-hydroxy-4,8-dimethyl-2H-chromen-2-one31575-15-2DTXSID50419880RefChem:279240DTXCID703707273-ethyl-7-hydroxy-4,8-dimethylchromen-2-oneMFCD029555933-ethyl-7-hydroxy-4,8-dimethyl-2H-1-benzopyran-2-one2H-1-benzopyran-2-one, 3-ethyl-7-hydroxy-4,8-dimethyl-Oprea1_682145CHEMBL1819433SCHEMBL29157679

Show more names

OTAVA-BB 10901883-ethyl-7-hydroxy-4,8-dimethyl-coumarin3-ethyl-7-hydroxy-4,8-dimethyl-2-chromenone3-ethyl-7-Chemicalbookhydroxy-4,8-dimethyl-chromen-2-one

ALBB-015653AKOS001662527LS-04894DB-315383CS-0296542EU-00123673-ethyl-7-hydroxy-4,8-dimethyl-chromen-2-oneEN300-302504

Database identifiers

CAS: 31575-15-2
PubChem CID: 5400565
DTXSID: DTXSID50419880
ChEMBL: CHEMBL1819433

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 332

Physicochemical properties

HazardClass: IRRITANT

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hazard_class: IRRITANT

Chemistry & industry

Suppliers1 total

陕西缔都化学有限公司17691182729 17392216275 · [email protected]

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Compound notes

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