3-[Hydroxy(3-methoxyphenyl)methyl)-2-oxotetrahydrofuran

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Basic information

Standard SMILES: COc1cccc(C(O)C2CCOC2=O)c1
InChIKey: KLRINZPNRWQZQS-UHFFFAOYSA-N
Molecular formula: C12H14O4
Average molar mass: 222.24 g/mol

Names & identifiers

Preferred name: 3-[Hydroxy(3-methoxyphenyl)methyl)-2-oxotetrahydrofuran
IUPAC: 3-[hydroxy-(3-methoxyphenyl)methyl]oxolan-2-one

Names & synonyms

3-[hydroxy(3-methoxyphenyl)methyl)-2-oxotetrahydrofuran3-[hydroxy(3-methoxyphenyl)methyl]-2-oxotetrahydrofuranSCHEMBL7486354KLRINZPNRWQZQS-UHFFFAOYSA-N

Database identifiers

PubChem CID: 18367294

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 253

Related reactions

7 records

New reaction record

HRID 99610As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 380086As productuspto-grants-2001_10

HRID 380087As reactantuspto-grants-2001_10

HRID 1119462As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1539073As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1741353As productuspto-grants-1999_10

HRID 1741354As reactantuspto-grants-1999_10

Compound notes

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