5-(9-oxo-9H-xanthen-2-yloxy)pentanoic acid

HCID 2818241

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)CCCCOc1ccc2oc3ccccc3c(=O)c2c1
InChIKey: ZCUWRMCUAYZEHP-UHFFFAOYSA-N
Molecular formula: C18H16O5
Average molar mass: 312.3 g/mol

Names & identifiers

Preferred name: 5-(9-oxo-9H-xanthen-2-yloxy)pentanoic acid
IUPAC: 5-(9-oxoxanthen-2-yl)oxypentanoic acid

Names & synonyms

CHEMBL222502SCHEMBL9424067ZCUWRMCUAYZEHP-UHFFFAOYSA-NBDBM501567645-(9-Oxoxanthen-2-oxy)valeric Acid5-(9-oxoxanthen-2-oxy) valeric acidCCG-2513585-(9-oxo-9H-xanthen-2-yloxy)pentanoic acid

Database identifiers

PubChem CID: 2818241
ChEMBL: CHEMBL222502

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 72.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 435

Related reactions

5 records

New reaction record

HRID 112168As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 176516As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1197193As productuspto-grants-1992_05

HRID 1464585As productuspto-grants-1994_04

HRID 1464586As reactantuspto-grants-1994_04

Compound notes

Loading…