5,6,7-Trimethoxy-1-indanone

HCID 610210
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Basic information

Standard SMILES
COc1cc2c(c(OC)c1OC)C(=O)CC2
InChIKey
GQMRLYSXCICRFW-UHFFFAOYSA-N
Molecular formula
C12H14O4
Average molar mass
222.24 g/mol
Monoisotopic mass
222.08920892

Names & identifiers

Preferred name
5,6,7-Trimethoxy-1-indanone
IUPAC
5,6,7-trimethoxy-2,3-dihydroinden-1-one

Names & synonyms

5,6,7-Trimethoxy-1-indanone5,6,7-trimethoxyindan-1-one5,6,7-trimethoxy-2,3-dihydroinden-1-oneMaybridge1_0041495,6,7-trimethoxy-2,3-dihydro-1H-inden-1-oneMLS000859046SCHEMBL6378725CHEMBL1892020HMS553E15HMS2781J12AKOS010641412CCG-252036
Show more names
SMR000459225BRD-K24357647-001-08-3

Database identifiers

PubChem CID
610210
ChEMBL
CHEMBL1892020
Nikkaji
J1.206.463B

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16

Related reactions

2 records
New reaction record

Linked notes

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