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Ethyl 7-(Benzyloxy)chroman-2-carboxylate

HCID 11162736
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C1CCc2ccc(OCc3ccccc3)cc2O1
InChIKey
SAJPHBVKQLIQOR-UHFFFAOYSA-N
Molecular formula
C19H20O4
Average molar mass
312.4 g/mol

Names & identifiers

Preferred name
Ethyl 7-(Benzyloxy)chroman-2-carboxylate
IUPAC
ethyl 7-phenylmethoxy-3,4-dihydro-2H-chromene-2-carboxylate

Names & synonyms

197388-46-8Ethyl 7-(Benzyloxy)chroman-2-carboxylateETHYL 7-(BENZYLOXY)-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-CARBOXYLATE2H-1-Benzopyran-2-carboxylicacid,3,4-dihydro-7-(phenylmethoxy)-,ethylesterMFCD18761977Ethyl 7-(benzyloxy)-2-chromanecarboxylateSCHEMBL1933853SAJPHBVKQLIQOR-UHFFFAOYSA-Nethyl 7-benzyloxychromane-2-carboxyateethyl 7-benzyloxychromane-2-carboxylateDB-342837D78787
Show more names
7-benzyloxy-chroman-2-carboxylic acid ethyl esterethyl 7-phenylmethoxy-3,4-dihydro-2H-chromene-2-carboxylateracemic-3,4-dihydro-7-(phenylmethoxy)-2H-1-benzopyran-2-carboxylic acid ethyl ester

Database identifiers

PubChem CID
11162736
Nikkaji
J1.914.709F

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
23
Formal charge
0
Complexity
378

Related reactions

8 records
New reaction record
HRID 51086 reaction equation
HRID 51086As productuspto-grants-2004_03
HRID 51087 reaction equation
HRID 51087As reactantuspto-grants-2004_03
HRID 162606 reaction equation
HRID 162606As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 479647 reaction equation
HRID 479647As productuspto-grants-2003_11
HRID 479648 reaction equation
HRID 479648As reactantuspto-grants-2003_11
HRID 989279 reaction equation
HRID 989279As productuspto-grants-2003_10
HRID 2231921 reaction equation
HRID 2231921As reactantuspto-grants-1988_11
HRID 2232498 reaction equation
HRID 2232498As reactantuspto-grants-1988_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes