4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol

C22H20N2O5 — CID 10271809

IUPAC4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol
SMILESOCCCC(c1cc2cc3c(cc2[nH]1)OCO3)c1c[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C22H20N2O5/c25-3-1-2-13(15-9-23-17-8-22-20(6-14(15)17)27-11-29-22)18-4-12-5-19-21(28-10-26-19)7-16(12)24-18/h4-9,13,23-25H,1-3,10-11H2
InChIKeySJOXBWKNAYVXLM-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.01
Rot. Bonds5

About 4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol

4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol (PubChem CID 10271809) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol.

Molecular Properties

Compound Name4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol
PubChem CID10271809
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol
SMILESOCCCC(c1cc2cc3c(cc2[nH]1)OCO3)c1c[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C22H20N2O5/c25-3-1-2-13(15-9-23-17-8-22-20(6-14(15)17)27-11-29-22)18-4-12-5-19-21(28-10-26-19)7-16(12)24-18/h4-9,13,23-25H,1-3,10-11H2
InChIKeySJOXBWKNAYVXLM-UHFFFAOYSA-N
XLogP4.01
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Hydroxymelatonin
CID 1864
3-(1H-indol-3-yl)-6,7-dimethoxy-quinoline
CID 9972296
2-(5-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-ethoxy}-1H-indol-3-yl)-ethylamine
CID 10809674
1H-Indole, 3,3'-methylenebis[5-methoxy-
CID 9944370
5,6-Bis(phenylmethoxy)-1H-indole
CID 20920
Solypertine
CID 20517
5,6-Dimethoxyindole
CID 84431
5,5',6,6'-Tetrahydroxy-3,3'-biindolyl
CID 21590181
3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-butyl]-5-fluoro-1H-indole
CID 11293380
4-[7-(1,2,3,6-Tetrahydro-pyridin-4-yl)-[1,3]dioxolo[4,5-f]indole-5-sulfonyl]-phenylamine
CID 44389004
3-[4-(4-Benzo[1,3]dioxol-5-yl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-5-methoxy-1H-indole
CID 44396410
Methoxymelanin
CID 189748

Frequently Asked Questions

What is the IUPAC name of 4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol?
The IUPAC name of 4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol (CID 10271809) is 4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol.
What is the SMILES notation for 4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol?
The canonical SMILES for 4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol is OCCCC(c1cc2cc3c(cc2[nH]1)OCO3)c1c[nH]c2cc3c(cc12)OCO3.
What is the InChIKey of 4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol?
The InChIKey is SJOXBWKNAYVXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c25-3-1-2-13(15-9-23-17-8-22-20(6-14(15)17)27-11-29-22)18-4-12-5-19-21(28-10-26-19)7-16(12)24-18/h4-9,13,23-25H,1-3,10-11H2.
What are the key properties of 4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol?
4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol has a molecular weight of 392.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-ol is sourced from PubChem (CID 10271809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).