1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole

C21H19NO4 — CID 25135888

IUPAC1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole
SMILESCOc1ccc(C2CC(n3cccc3)Oc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C21H19NO4/c1-23-15-6-4-14(5-7-15)16-11-21(22-8-2-3-9-22)26-18-12-20-19(10-17(16)18)24-13-25-20/h2-10,12,16,21H,11,13H2,1H3
InChIKeyOKBZRNXYOFZSKK-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.34
Rot. Bonds3

About 1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole

1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole (PubChem CID 25135888) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole.

Molecular Properties

Compound Name1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole
PubChem CID25135888
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole
SMILESCOc1ccc(C2CC(n3cccc3)Oc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C21H19NO4/c1-23-15-6-4-14(5-7-15)16-11-21(22-8-2-3-9-22)26-18-12-20-19(10-17(16)18)24-13-25-20/h2-10,12,16,21H,11,13H2,1H3
InChIKeyOKBZRNXYOFZSKK-UHFFFAOYSA-N
XLogP4.34
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole?
The IUPAC name of 1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole (CID 25135888) is 1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole.
What is the SMILES notation for 1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole?
The canonical SMILES for 1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole is COc1ccc(C2CC(n3cccc3)Oc3cc4c(cc32)OCO4)cc1.
What is the InChIKey of 1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole?
The InChIKey is OKBZRNXYOFZSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-23-15-6-4-14(5-7-15)16-11-21(22-8-2-3-9-22)26-18-12-20-19(10-17(16)18)24-13-25-20/h2-10,12,16,21H,11,13H2,1H3.
What are the key properties of 1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole?
1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole has a molecular weight of 349.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrole is sourced from PubChem (CID 25135888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).