5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate

C21H11Cl2O7- — CID 7895948

IUPAC5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(COc2ccc3c(=O)c(Oc4cc(Cl)ccc4Cl)coc3c2)o1
InChIInChI=1S/C21H12Cl2O7/c22-11-1-5-15(23)18(7-11)30-19-10-28-17-8-12(2-4-14(17)20(19)24)27-9-13-3-6-16(29-13)21(25)26/h1-8,10H,9H2,(H,25,26)/p-1
InChIKeyYPIMLIHOEMQTDK-UHFFFAOYSA-M
MW446.22 g/mol
LogP4.43
Rot. Bonds6

About 5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate

5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate (PubChem CID 7895948) has the molecular formula C21H11Cl2O7- and a molecular weight of 446.22 g/mol. Its IUPAC name is 5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Name5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
PubChem CID7895948
Molecular FormulaC21H11Cl2O7-
Molecular Weight446.22 g/mol
Exact Mass444.99
IUPAC Name5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(COc2ccc3c(=O)c(Oc4cc(Cl)ccc4Cl)coc3c2)o1
InChIInChI=1S/C21H12Cl2O7/c22-11-1-5-15(23)18(7-11)30-19-10-28-17-8-12(2-4-14(17)20(19)24)27-9-13-3-6-16(29-13)21(25)26/h1-8,10H,9H2,(H,25,26)/p-1
InChIKeyYPIMLIHOEMQTDK-UHFFFAOYSA-M
XLogP4.43
TPSA101.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.22
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate with MolForge

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Related Compounds

5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7138904
5-[[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7138884
5-[[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7138892
5-[[3-(4-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid
CID 7138917
5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
CID 4740544
5-[[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid
CID 7138893
5-[[3-[4-(2-methylbutan-2-yl)phenoxy]-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid
CID 7895955
5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid
CID 725870
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
3-(2-chlorophenoxy)-7-(2-phenylethoxy)chromen-4-one
CID 1188451
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3416642
5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate
CID 5147336

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate?
The IUPAC name of 5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate (CID 7895948) is 5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for 5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for 5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate is O=C([O-])c1ccc(COc2ccc3c(=O)c(Oc4cc(Cl)ccc4Cl)coc3c2)o1.
What is the InChIKey of 5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate?
The InChIKey is YPIMLIHOEMQTDK-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H12Cl2O7/c22-11-1-5-15(23)18(7-11)30-19-10-28-17-8-12(2-4-14(17)20(19)24)27-9-13-3-6-16(29-13)21(25)26/h1-8,10H,9H2,(H,25,26)/p-1.
What are the key properties of 5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate?
5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate has a molecular weight of 446.22 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 7895948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).