7-Hydroxy-8-methyl coumarin

HCID 5380978
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
2732-17-4
Standard SMILES
Cc1c(O)ccc2ccc(=O)oc12
InChIKey
GMEKXRVOQDAYAA-UHFFFAOYSA-N
Molecular formula
C10H8O3
Average molar mass
176.17 g/mol
Monoisotopic mass
176.04734412

Names & identifiers

Preferred name
7-Hydroxy-8-methyl coumarin
IUPAC
7-hydroxy-8-methylchromen-2-one

Names & synonyms

2732-17-47-hydroxy-8-methyl coumarinDTXSID90418998RefChem:310860DTXCID403698457-Hydroxy-8-methyl-2H-1-benzopyran-2-one7-hydroxy-8-methylchromen-2-one8-methyl-7-hydroxycoumarinNSC1084327-hydroxy-8-methyl-2H-chromen-2-oneCHEMBL457874SCHEMBL4178181
Show more names
SCHEMBL4178185GMEKXRVOQDAYAA-UHFFFAOYSA-NCAA73217NSC-108432DS-013279EN300-16923982H-1-BENZOPYRAN-2-ONE,7-HYDROXY-8-METHYL-

Database identifiers

CAS
2732-17-4
PubChem CID
5380978
DTXSID
DTXSID90418998
ChEMBL
CHEMBL457874
Nikkaji
J837.332I

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
13

Related reactions

6 records
New reaction record

Compound notes

Loading…