3-(3-Carbomethoxyphenyl)methyl-4,6-dihydroxy-chroman

HCID 19600681
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Basic information

Standard SMILES
COC(=O)c1cccc(CC2COc3ccc(O)cc3C2O)c1
InChIKey
JJCVKZYZRWEHOC-UHFFFAOYSA-N
Molecular formula
C18H18O5
Average molar mass
314.3 g/mol

Names & identifiers

Preferred name
3-(3-Carbomethoxyphenyl)methyl-4,6-dihydroxy-chroman
IUPAC
methyl 3-[(4,6-dihydroxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzoate

Names & synonyms

SCHEMBL8465638JJCVKZYZRWEHOC-UHFFFAOYSA-N3-(3-Carbomethoxyphenyl)methyl-4,6-dihydroxy-chroman

Database identifiers

PubChem CID
19600681

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
76 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

Related reactions

3 records
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Compound notes

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