methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate

C19H18O6 — CID 7742903

IUPACmethyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate
SMILESCOC(=O)[C@@H](C)Oc1c(-c2ccco2)oc2cc(C)c(C)cc2c1=O
InChIInChI=1S/C19H18O6/c1-10-8-13-15(9-11(10)2)25-17(14-6-5-7-23-14)18(16(13)20)24-12(3)19(21)22-4/h5-9,12H,1-4H3/t12-/m1/s1
InChIKeyNOZLDAQVDURLCI-GFCCVEGCSA-N
MW342.35 g/mol
LogP3.61
Rot. Bonds4

About methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate

methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate (PubChem CID 7742903) has the molecular formula C19H18O6 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate
PubChem CID7742903
Molecular FormulaC19H18O6
Molecular Weight342.35 g/mol
Exact Mass342.11
IUPAC Namemethyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate
SMILESCOC(=O)[C@@H](C)Oc1c(-c2ccco2)oc2cc(C)c(C)cc2c1=O
InChIInChI=1S/C19H18O6/c1-10-8-13-15(9-11(10)2)25-17(14-6-5-7-23-14)18(16(13)20)24-12(3)19(21)22-4/h5-9,12H,1-4H3/t12-/m1/s1
InChIKeyNOZLDAQVDURLCI-GFCCVEGCSA-N
XLogP3.61
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
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

[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] acetate
CID 7742841
ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 3374835
ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742889
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] benzoate
CID 20999926
(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 7747167
2-[6-chloro-2-(furan-2-yl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)propanamide
CID 21001500
ethyl (2R)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoate
CID 7732374
3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 1413736
3-[2-(4-bromophenyl)-2-oxoethoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 20999935
6,7-dimethyl-2-(4-methylphenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 20999491
6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one
CID 7747752
ethyl 4-[2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoylamino]benzoate
CID 46303511

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate?
The IUPAC name of methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate (CID 7742903) is methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate.
What is the SMILES notation for methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate?
The canonical SMILES for methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate is COC(=O)[C@@H](C)Oc1c(-c2ccco2)oc2cc(C)c(C)cc2c1=O.
What is the InChIKey of methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate?
The InChIKey is NOZLDAQVDURLCI-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18O6/c1-10-8-13-15(9-11(10)2)25-17(14-6-5-7-23-14)18(16(13)20)24-12(3)19(21)22-4/h5-9,12H,1-4H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate?
methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate has a molecular weight of 342.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate is sourced from PubChem (CID 7742903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).