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4-(2-Tetrahydropyranyloxyethoxy)benzoic acid

HCID 12810474
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccc(OCCOC2CCCCO2)cc1
InChIKey
WATTXCCGRDXVHR-UHFFFAOYSA-N
Molecular formula
C14H18O5
Average molar mass
266.29 g/mol
Monoisotopic mass
266.11542367

Names & identifiers

Preferred name
4-(2-Tetrahydropyranyloxyethoxy)benzoic acid
IUPAC
4-[2-(oxan-2-yloxy)ethoxy]benzoic acid

Names & synonyms

SCHEMBL2981986WATTXCCGRDXVHR-UHFFFAOYSA-N4-(2-tetrahydropyranyloxyethoxy)benzoic acid

Database identifiers

PubChem CID
12810474

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
65 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Formal charge
0
Complexity
273

Related reactions

6 records
New reaction record
HRID 118333 reaction equation
HRID 118333As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 167601 reaction equation
HRID 167601As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1659621 reaction equation
HRID 1659621As productuspto-grants-1981_12
HRID 1659622 reaction equation
HRID 1659622As reactantuspto-grants-1981_12
HRID 2198685 reaction equation
HRID 2198685As productuspto-grants-1982_11
HRID 2198686 reaction equation
HRID 2198686As reactantuspto-grants-1982_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes