methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate

C20H13ClO7 — CID 21000699

IUPACmethyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2c(-c3ccco3)oc3ccc(Cl)cc3c2=O)o1
InChIInChI=1S/C20H13ClO7/c1-24-20(23)16-7-5-12(27-16)10-26-19-17(22)13-9-11(21)4-6-14(13)28-18(19)15-3-2-8-25-15/h2-9H,10H2,1H3
InChIKeyVVGRYEZIPQUYSH-UHFFFAOYSA-N
MW400.77 g/mol
LogP4.66
Rot. Bonds5

About methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate

methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate (PubChem CID 21000699) has the molecular formula C20H13ClO7 and a molecular weight of 400.77 g/mol. Its IUPAC name is methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate
PubChem CID21000699
Molecular FormulaC20H13ClO7
Molecular Weight400.77 g/mol
Exact Mass400.03
IUPAC Namemethyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2c(-c3ccco3)oc3ccc(Cl)cc3c2=O)o1
InChIInChI=1S/C20H13ClO7/c1-24-20(23)16-7-5-12(27-16)10-26-19-17(22)13-9-11(21)4-6-14(13)28-18(19)15-3-2-8-25-15/h2-9H,10H2,1H3
InChIKeyVVGRYEZIPQUYSH-UHFFFAOYSA-N
XLogP4.66
TPSA92.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.77
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate with MolForge

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Related Compounds

6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one
CID 7747177
[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl] 2-(4-methoxyphenyl)acetate
CID 7747145
6-chloro-2-(furan-2-yl)-3-prop-2-enoxychromen-4-one
CID 101197027
5-[[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylic acid
CID 21000428
N-butan-2-yl-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxyacetamide
CID 21000703
(2R)-2-[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 7747167
6-chloro-2-(furan-2-yl)-3-[(E)-3-phenylprop-2-enoxy]chromen-4-one
CID 101197029
[6-ethyl-2-(furan-2-yl)-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate
CID 3520749
3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 7742926
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one
CID 10406627
methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate
CID 60594327

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate (CID 21000699) is methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COc2c(-c3ccco3)oc3ccc(Cl)cc3c2=O)o1.
What is the InChIKey of methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate?
The InChIKey is VVGRYEZIPQUYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClO7/c1-24-20(23)16-7-5-12(27-16)10-26-19-17(22)13-9-11(21)4-6-14(13)28-18(19)15-3-2-8-25-15/h2-9H,10H2,1H3.
What are the key properties of methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate?
methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate has a molecular weight of 400.77 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[6-chloro-2-(furan-2-yl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 21000699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).