ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate

C19H18O6 — CID 7742889

IUPACethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
SMILESCCOC(=O)COc1c(-c2ccco2)oc2cc(C)c(C)cc2c1=O
InChIInChI=1S/C19H18O6/c1-4-22-16(20)10-24-19-17(21)13-8-11(2)12(3)9-15(13)25-18(19)14-6-5-7-23-14/h5-9H,4,10H2,1-3H3
InChIKeyQQJHLUKUKXDGAJ-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.61
Rot. Bonds5

About ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate

ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate (PubChem CID 7742889) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
PubChem CID7742889
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Nameethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
SMILESCCOC(=O)COc1c(-c2ccco2)oc2cc(C)c(C)cc2c1=O
InChIInChI=1S/C19H18O6/c1-4-22-16(20)10-24-19-17(21)13-8-11(2)12(3)9-15(13)25-18(19)14-6-5-7-23-14/h5-9H,4,10H2,1-3H3
InChIKeyQQJHLUKUKXDGAJ-UHFFFAOYSA-N
XLogP3.61
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-bromophenyl)-2-oxoethoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 20999935
6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one
CID 7747752
ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742658
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] acetate
CID 7742841
methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate
CID 7742903
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] benzoate
CID 20999926
3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 7742926
6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one
CID 7747177
3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 1413736
2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide
CID 21001500
N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide
CID 21000703
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 7742654

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate?
The IUPAC name of ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate (CID 7742889) is ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate?
The canonical SMILES for ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate is CCOC(=O)COc1c(-c2ccco2)oc2cc(C)c(C)cc2c1=O.
What is the InChIKey of ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate?
The InChIKey is QQJHLUKUKXDGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O6/c1-4-22-16(20)10-24-19-17(21)13-8-11(2)12(3)9-15(13)25-18(19)14-6-5-7-23-14/h5-9H,4,10H2,1-3H3.
What are the key properties of ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate?
ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate has a molecular weight of 342.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate is sourced from PubChem (CID 7742889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).