4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one

C19H19NO5 — CID 139081940

IUPAC4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one
SMILESCOc1ccccc1NC1=C(c2ccc(OC)c(OC)c2)C(=O)OC1
InChIInChI=1S/C19H19NO5/c1-22-15-7-5-4-6-13(15)20-14-11-25-19(21)18(14)12-8-9-16(23-2)17(10-12)24-3/h4-10,20H,11H2,1-3H3
InChIKeyDMCCCQLTRVCPDP-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.09
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one

4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one (PubChem CID 139081940) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one
PubChem CID139081940
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one
SMILESCOc1ccccc1NC1=C(c2ccc(OC)c(OC)c2)C(=O)OC1
InChIInChI=1S/C19H19NO5/c1-22-15-7-5-4-6-13(15)20-14-11-25-19(21)18(14)12-8-9-16(23-2)17(10-12)24-3/h4-10,20H,11H2,1-3H3
InChIKeyDMCCCQLTRVCPDP-UHFFFAOYSA-N
XLogP3.09
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one (CID 139081940) is 4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one is COc1ccccc1NC1=C(c2ccc(OC)c(OC)c2)C(=O)OC1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one?
The InChIKey is DMCCCQLTRVCPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-15-7-5-4-6-13(15)20-14-11-25-19(21)18(14)12-8-9-16(23-2)17(10-12)24-3/h4-10,20H,11H2,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one?
4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one has a molecular weight of 341.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one is sourced from PubChem (CID 139081940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).