2-Butyl-5-methoxy-1-indanone

HCID 12045752

Notes Reactions

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Basic information

Standard SMILES: CCCCC1Cc2cc(OC)ccc2C1=O
InChIKey: DSKKIZKZZIATRO-UHFFFAOYSA-N
Molecular formula: C14H18O2
Average molar mass: 218.29 g/mol

Names & identifiers

Preferred name: 2-Butyl-5-methoxy-1-indanone
IUPAC: 2-butyl-5-methoxy-2,3-dihydroinden-1-one

Names & synonyms

2-butyl-5-methoxy-1-indanoneSCHEMBL2424817DSKKIZKZZIATRO-UHFFFAOYSA-N

Database identifiers

PubChem CID: 12045752
Nikkaji: J1.833.850E

Properties

Computed structural properties

XLogP: 3.6
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: 249

Related reactions

13 records

New reaction record

HRID 7823As productuspto-grants-2006_08

HRID 7824As reactantuspto-grants-2006_08

HRID 7831As productuspto-grants-2006_08

HRID 7845As reactantuspto-grants-2006_08

HRID 7854As reactantuspto-grants-2006_08

HRID 113169As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 701292As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 937021As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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