5-ethoxy-6-methoxy-2,3-dihydroinden-1-one

C12H14O3 — CID 14635993

IUPAC5-ethoxy-6-methoxy-2,3-dihydroinden-1-one
SMILESCCOc1cc2c(cc1OC)C(=O)CC2
InChIInChI=1S/C12H14O3/c1-3-15-12-6-8-4-5-10(13)9(8)7-11(12)14-2/h6-7H,3-5H2,1-2H3
InChIKeyUIILJOSSQDSSTG-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.22
Rot. Bonds3

About 5-ethoxy-6-methoxy-2,3-dihydroinden-1-one

5-ethoxy-6-methoxy-2,3-dihydroinden-1-one (PubChem CID 14635993) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 5-ethoxy-6-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-ethoxy-6-methoxy-2,3-dihydroinden-1-one
PubChem CID14635993
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name5-ethoxy-6-methoxy-2,3-dihydroinden-1-one
SMILESCCOc1cc2c(cc1OC)C(=O)CC2
InChIInChI=1S/C12H14O3/c1-3-15-12-6-8-4-5-10(13)9(8)7-11(12)14-2/h6-7H,3-5H2,1-2H3
InChIKeyUIILJOSSQDSSTG-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one
CID 71316138
5,6-bis(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 118339181
5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one
CID 69202251
5,6-dihexoxy-2,3-dihydroinden-1-one
CID 139785249
6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one
CID 149158752
5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one
CID 141081169
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10084070
2,3-dipropoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 62731892
2-chloro-9-ethoxy-10-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 146299674
2,3-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 62934537

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-6-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 5-ethoxy-6-methoxy-2,3-dihydroinden-1-one (CID 14635993) is 5-ethoxy-6-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-ethoxy-6-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 5-ethoxy-6-methoxy-2,3-dihydroinden-1-one is CCOc1cc2c(cc1OC)C(=O)CC2.
What is the InChIKey of 5-ethoxy-6-methoxy-2,3-dihydroinden-1-one?
The InChIKey is UIILJOSSQDSSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-15-12-6-8-4-5-10(13)9(8)7-11(12)14-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-ethoxy-6-methoxy-2,3-dihydroinden-1-one?
5-ethoxy-6-methoxy-2,3-dihydroinden-1-one has a molecular weight of 206.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-6-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 14635993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).