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

C12H13FO3 — CID 149158752

IUPAC6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one
SMILESCCOc1cc2c(cc1OC)CC(F)C2=O
InChIInChI=1S/C12H13FO3/c1-3-16-11-6-8-7(5-10(11)15-2)4-9(13)12(8)14/h5-6,9H,3-4H2,1-2H3
InChIKeyWVECJOOHTHMTGD-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.17
Rot. Bonds3

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

6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one (PubChem CID 149158752) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one
PubChem CID149158752
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one
SMILESCCOc1cc2c(cc1OC)CC(F)C2=O
InChIInChI=1S/C12H13FO3/c1-3-16-11-6-8-7(5-10(11)15-2)4-9(13)12(8)14/h5-6,9H,3-4H2,1-2H3
InChIKeyWVECJOOHTHMTGD-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethoxy-6-methoxy-2,3-dihydroinden-1-one
CID 14635993
ethyl 5,6-diethoxy-3-oxo-1,2-dihydroindene-2-carboxylate
CID 21191717
2-[(1-benzylpiperidin-4-yl)methyl]-5-ethoxy-6-methoxy-2,3-dihydroinden-1-one;hydrochloride
CID 68955175
5-ethoxy-6-methoxy-2-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one
CID 71013646
2-fluoro-5-methoxy-2,3-dihydroinden-1-one
CID 45120123
2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 22755555
2-benzyl-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 10902071
2-azido-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 152782403
3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71367948
2-[(E)-but-2-enyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 19036380
5-tert-butyl-2-ethyl-6-methoxy-2,3-dihydroinden-1-one
CID 170070080
3-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)propanoic acid
CID 14128308

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one (CID 149158752) is 6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one is CCOc1cc2c(cc1OC)CC(F)C2=O.
What is the InChIKey of 6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one?
The InChIKey is WVECJOOHTHMTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-3-16-11-6-8-7(5-10(11)15-2)4-9(13)12(8)14/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one?
6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one has a molecular weight of 224.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 149158752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).