[(4-{[2-(Methoxycarbonyl)benzyl]oxy}phenyl)]acetic acid

HCID 68869545

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1ccccc1COc1ccc(CC(=O)O)cc1
InChIKey: UBFBCWXZPLMOHR-UHFFFAOYSA-N
Molecular formula: C17H16O5
Average molar mass: 300.3 g/mol

Names & identifiers

Preferred name: [(4-{[2-(Methoxycarbonyl)benzyl]oxy}phenyl)]acetic acid
IUPAC: 2-[4-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid

Names & synonyms

[(4-{[2-(methoxycarbonyl)benzyl]oxy}phenyl)]acetic acid637015-03-3SCHEMBL3995720UBFBCWXZPLMOHR-UHFFFAOYSA-NDB-328196(4-{[2-(Methoxycarbonyl)benzyl]oxy}phenyl)acetic acid

Database identifiers

PubChem CID: 68869545

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 373

Related reactions

14 records

New reaction record

HRID 87168As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 161699As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 180284As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 191388As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 830353As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 899871As productuspto-grants-2008_04

HRID 899872As reactantuspto-grants-2008_04

HRID 899874As reactantuspto-grants-2008_04

Linked notes

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