3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one

C20H17NO4 — CID 164575997

IUPAC3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one
SMILESCOc1ccc(C2=C(c3c[nH]c4ccccc34)C(=O)OC2)cc1OC
InChIInChI=1S/C20H17NO4/c1-23-17-8-7-12(9-18(17)24-2)15-11-25-20(22)19(15)14-10-21-16-6-4-3-5-13(14)16/h3-10,21H,11H2,1-2H3
InChIKeyAQGWFNURFUEKAK-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.65
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one

3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one (PubChem CID 164575997) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one
PubChem CID164575997
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one
SMILESCOc1ccc(C2=C(c3c[nH]c4ccccc34)C(=O)OC2)cc1OC
InChIInChI=1S/C20H17NO4/c1-23-17-8-7-12(9-18(17)24-2)15-11-25-20(22)19(15)14-10-21-16-6-4-3-5-13(14)16/h3-10,21H,11H2,1-2H3
InChIKeyAQGWFNURFUEKAK-UHFFFAOYSA-N
XLogP3.65
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one (CID 164575997) is 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one is COc1ccc(C2=C(c3c[nH]c4ccccc34)C(=O)OC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one?
The InChIKey is AQGWFNURFUEKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-23-17-8-7-12(9-18(17)24-2)15-11-25-20(22)19(15)14-10-21-16-6-4-3-5-13(14)16/h3-10,21H,11H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one?
3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one has a molecular weight of 335.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-(1H-indol-3-yl)-2H-furan-5-one is sourced from PubChem (CID 164575997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).