6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin

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Basic information

Standard SMILES: Cc1c(C)c2c(c(C)c1O)C(C)(C)CC(=O)O2
InChIKey: NWBXBARTRIEVKH-UHFFFAOYSA-N
Molecular formula: C14H18O3
Average molar mass: 234.29 g/mol
Monoisotopic mass: 234.12559443

Names & identifiers

Preferred name: 6-Hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin
IUPAC: 6-hydroxy-4,4,5,7,8-pentamethyl-3H-chromen-2-one

Names & synonyms

40662-76-86-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin6-hydroxy-4,4,5,7,8-pentamethylchroman-2-one6-hydroxy-4,4,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-2-one6-hydroxy-4,4,5,7,8-pentamethyl-3H-chromen-2-oneMFCD26394817Dihydrocoumarin-6-ol, 4,4,5,7,8-pentamethyl-SCHEMBL1106622CHEMBL4590451WS-01013DB-296540D85481

Show more names

6-hydroxy-4,4,5,7,8-pentamethyl-chroman-2-oneF8414906-Hydroxy-4,4,5,7,8-pentamethyl-2-chromanone #6-hyroxy-4,4,5,7,8-pentamathyl-3,4-dihydrocoumarin6-hydroxhy-4,4,5,7,8-pentamethyl-3,4-dihydrocoumarin6-hydroxy-4,4,5,7,8-pentamethylo-3,4-dihydrocoumarinCoumarin-6-ol, 3,4-dihydro-4,4,5,7,8-pentamethyl-Coumarin-6-ol, 3,4-dihydro-4,4-dimethyl-5,7,8-trimethyl-

Database identifiers

PubChem CID: 616349
ChEMBL: CHEMBL4590451
Nikkaji: J1.527.283J

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 323

Related reactions

2 records

New reaction record

HRID 921504As productuspto-grants-2016_03

HRID 921505As reactantuspto-grants-2016_03

Compound notes

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