2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one

C14H18O4 — CID 114673860

IUPAC2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one
SMILESCCC1(COC)CC(=O)c2cc(OC)ccc2O1
InChIInChI=1S/C14H18O4/c1-4-14(9-16-2)8-12(15)11-7-10(17-3)5-6-13(11)18-14/h5-7H,4,8-9H2,1-3H3
InChIKeyFGDFCXNAXPFVHS-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.46
Rot. Bonds4

About 2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one

2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one (PubChem CID 114673860) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one.

Molecular Properties

Compound Name2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one
PubChem CID114673860
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one
SMILESCCC1(COC)CC(=O)c2cc(OC)ccc2O1
InChIInChI=1S/C14H18O4/c1-4-14(9-16-2)8-12(15)11-7-10(17-3)5-6-13(11)18-14/h5-7H,4,8-9H2,1-3H3
InChIKeyFGDFCXNAXPFVHS-UHFFFAOYSA-N
XLogP2.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-methoxy-2-methyl-3H-chromen-4-one
CID 114673827
6-methoxy-2-methyl-2-propyl-3H-chromen-4-one
CID 114673953
6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207107
(2R)-2-(difluoromethyl)-2-hydroxy-6-methoxy-3H-chromen-4-one
CID 871802
6-bromo-2-butyl-2-(methoxymethyl)-3H-chromen-4-one
CID 143944320
2,2-diethyl-6-isocyano-3H-chromen-4-one
CID 159214413
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
acetic acid;2,2-diethyl-6-isocyano-3H-chromen-4-one;(2,2-diethyl-4-oxo-3H-chromen-6-yl) formate
CID 159455381
6-methoxy-1'-(3-methylbutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758735
2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114713126

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one?
The IUPAC name of 2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one (CID 114673860) is 2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one.
What is the SMILES notation for 2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one?
The canonical SMILES for 2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one is CCC1(COC)CC(=O)c2cc(OC)ccc2O1.
What is the InChIKey of 2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one?
The InChIKey is FGDFCXNAXPFVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-4-14(9-16-2)8-12(15)11-7-10(17-3)5-6-13(11)18-14/h5-7H,4,8-9H2,1-3H3.
What are the key properties of 2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one?
2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one has a molecular weight of 250.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-2-(methoxymethyl)-3H-chromen-4-one is sourced from PubChem (CID 114673860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).