Ethyl 2-(3,4-dihydronaphthalen-2-yl)acetate

HCID 313346

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 63625-94-5
Standard SMILES: CCOC(=O)CC1=Cc2ccccc2CC1
InChIKey: IBQXCEHAEYSYBT-UHFFFAOYSA-N
Molecular formula: C14H16O2
Average molar mass: 216.27 g/mol
Monoisotopic mass: 216.11502975

Names & identifiers

Preferred name: Ethyl 2-(3,4-dihydronaphthalen-2-yl)acetate
IUPAC: ethyl 2-(3,4-dihydronaphthalen-2-yl)acetate

Names & synonyms

ethyl 2-(3,4-dihydronaphthalen-2-yl)acetate63625-94-5NSC227234SCHEMBL8091366DTXSID90310443IBQXCEHAEYSYBT-UHFFFAOYSA-NNSC-227234Ethyl (3,4-dihydronaphthalen-2-yl)acetateEthyl 2-(3,4-dihydro-naphth-2-yl)acetate

Database identifiers

CAS: 63625-94-5
PubChem CID: 313346
DTXSID: DTXSID90310443

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 280

Related reactions

5 records

New reaction record

HRID 195684As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 365489As productuspto-grants-2000_10

HRID 365490As reactantuspto-grants-2000_10

HRID 365495As reactantuspto-grants-2000_10

HRID 1548612As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

Loading…