2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one

C13H16O3 — CID 114673827

IUPAC2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one
SMILESCCC1(C)CC(=O)c2cc(OC)ccc2O1
InChIInChI=1S/C13H16O3/c1-4-13(2)8-11(14)10-7-9(15-3)5-6-12(10)16-13/h5-7H,4,8H2,1-3H3
InChIKeyOTDNDUFEHZKNGT-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.83
Rot. Bonds2

About 2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one

2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one (PubChem CID 114673827) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one.

Molecular Properties

Compound Name2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one
PubChem CID114673827
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one
SMILESCCC1(C)CC(=O)c2cc(OC)ccc2O1
InChIInChI=1S/C13H16O3/c1-4-13(2)8-11(14)10-7-9(15-3)5-6-12(10)16-13/h5-7H,4,8H2,1-3H3
InChIKeyOTDNDUFEHZKNGT-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-methyl-2-propyl-3H-chromen-4-one
CID 114673953
2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one
CID 114673860
(2S)-6-amino-2-ethyl-2-methyl-3H-chromen-4-one
CID 25417253
2-ethyl-6-isocyanato-2-methyl-3H-chromen-4-one
CID 169352425
6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207107
(2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one
CID 871802
2-(6-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
CID 82019251
6-methoxy-2',6'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one
CID 114673893
3,3-diethyl-6-methoxy-2H-inden-1-one
CID 19036614
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
3-(2-ethyl-2-methyl-4-oxo-3H-chromen-6-yl)-1,1-bis(2-hydroxyethyl)urea
CID 74239202
6-methoxy-1'-(3-methylbutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758735

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one?
The IUPAC name of 2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one (CID 114673827) is 2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one.
What is the SMILES notation for 2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one?
The canonical SMILES for 2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one is CCC1(C)CC(=O)c2cc(OC)ccc2O1.
What is the InChIKey of 2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one?
The InChIKey is OTDNDUFEHZKNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-13(2)8-11(14)10-7-9(15-3)5-6-12(10)16-13/h5-7H,4,8H2,1-3H3.
What are the key properties of 2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one?
2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one has a molecular weight of 220.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one is sourced from PubChem (CID 114673827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).