7-ethyl-4-(methoxymethyl)chromen-2-one

C13H14O3 — CID 88901844

IUPAC7-ethyl-4-(methoxymethyl)chromen-2-one
SMILESCCc1ccc2c(COC)cc(=O)oc2c1
InChIInChI=1S/C13H14O3/c1-3-9-4-5-11-10(8-15-2)7-13(14)16-12(11)6-9/h4-7H,3,8H2,1-2H3
InChIKeyOPOIZIZPHZOMSL-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.50
Rot. Bonds3

About 7-ethyl-4-(methoxymethyl)chromen-2-one

7-ethyl-4-(methoxymethyl)chromen-2-one (PubChem CID 88901844) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 7-ethyl-4-(methoxymethyl)chromen-2-one.

Molecular Properties

Compound Name7-ethyl-4-(methoxymethyl)chromen-2-one
PubChem CID88901844
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name7-ethyl-4-(methoxymethyl)chromen-2-one
SMILESCCc1ccc2c(COC)cc(=O)oc2c1
InChIInChI=1S/C13H14O3/c1-3-9-4-5-11-10(8-15-2)7-13(14)16-12(11)6-9/h4-7H,3,8H2,1-2H3
InChIKeyOPOIZIZPHZOMSL-UHFFFAOYSA-N
XLogP2.50
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-tert-butyl-4-(methoxymethyl)chromen-2-one
CID 58452098
(7-ethyl-2-oxochromen-4-yl)methyl 5-bromofuran-2-carboxylate
CID 8014134
(7-ethyl-2-oxochromen-4-yl)methyl 2,4,5-trimethoxybenzoate
CID 8753682
4-[(2-chlorophenoxy)methyl]-7-ethylchromen-2-one
CID 7815926
(7-ethyl-2-oxochromen-4-yl)methyl 2,5-dimethylthiophene-3-carboxylate
CID 8878180
7-ethyl-4-[(4-nitrophenoxy)methyl]chromen-2-one
CID 7816839
7-ethyl-4-methylchromen-2-one
CID 5160585
(7-ethyl-2-oxochromen-4-yl)methyl 3-fluoro-4-methoxybenzoate
CID 8702528
4-[(7-ethyl-2-oxochromen-4-yl)methoxy]-3-methoxybenzonitrile
CID 7757377
(7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate
CID 4789903
7-ethyl-4-[(2-methoxy-5-nitrophenoxy)methyl]chromen-2-one
CID 7931803
(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate
CID 46789081

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-(methoxymethyl)chromen-2-one?
The IUPAC name of 7-ethyl-4-(methoxymethyl)chromen-2-one (CID 88901844) is 7-ethyl-4-(methoxymethyl)chromen-2-one.
What is the SMILES notation for 7-ethyl-4-(methoxymethyl)chromen-2-one?
The canonical SMILES for 7-ethyl-4-(methoxymethyl)chromen-2-one is CCc1ccc2c(COC)cc(=O)oc2c1.
What is the InChIKey of 7-ethyl-4-(methoxymethyl)chromen-2-one?
The InChIKey is OPOIZIZPHZOMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-3-9-4-5-11-10(8-15-2)7-13(14)16-12(11)6-9/h4-7H,3,8H2,1-2H3.
What are the key properties of 7-ethyl-4-(methoxymethyl)chromen-2-one?
7-ethyl-4-(methoxymethyl)chromen-2-one has a molecular weight of 218.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-(methoxymethyl)chromen-2-one is sourced from PubChem (CID 88901844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).