ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate

C18H16O6 — CID 39903274

IUPACethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C18H16O6/c1-3-21-18(20)14-6-7-22-16(14)10-23-12-4-5-13-11(2)8-17(19)24-15(13)9-12/h4-9H,3,10H2,1-2H3
InChIKeyYKIFRNOQMOYWOZ-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.45
Rot. Bonds5

About ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate

ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate (PubChem CID 39903274) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate
PubChem CID39903274
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Nameethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C18H16O6/c1-3-21-18(20)14-6-7-22-16(14)10-23-12-4-5-13-11(2)8-17(19)24-15(13)9-12/h4-9H,3,10H2,1-2H3
InChIKeyYKIFRNOQMOYWOZ-UHFFFAOYSA-N
XLogP3.45
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
CID 54909106
ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484801
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
(4-methyl-2-oxochromen-7-yl) 4-ethoxybenzoate
CID 836179
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
ethyl 4-(4-methyl-2-oxochromen-7-yl)oxy-2-methylsulfanylpyrimidine-5-carboxylate
CID 990594
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844229
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 78788494
7-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]-4-methylchromen-2-one
CID 47025690

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate (CID 39903274) is ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate is CCOC(=O)c1ccoc1COc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate?
The InChIKey is YKIFRNOQMOYWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-3-21-18(20)14-6-7-22-16(14)10-23-12-4-5-13-11(2)8-17(19)24-15(13)9-12/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate?
ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate has a molecular weight of 328.32 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methyl-2-oxochromen-7-yl)oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 39903274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).