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

C23H22N2O5 — CID 10201356

IUPAC5-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol
SMILESOCCCCC(c1cc2cc3c(cc2[nH]1)OCO3)c1c[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C23H22N2O5/c26-4-2-1-3-14(16-10-24-18-9-23-21(7-15(16)18)28-12-30-23)19-5-13-6-20-22(29-11-27-20)8-17(13)25-19/h5-10,14,24-26H,1-4,11-12H2
InChIKeyFIDCNNMKEVKCAP-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.40
Rot. Bonds6

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

5-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol (PubChem CID 10201356) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 5-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol
PubChem CID10201356
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name5-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol
SMILESOCCCCC(c1cc2cc3c(cc2[nH]1)OCO3)c1c[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C23H22N2O5/c26-4-2-1-3-14(16-10-24-18-9-23-21(7-15(16)18)28-12-30-23)19-5-13-6-20-22(29-11-27-20)8-17(13)25-19/h5-10,14,24-26H,1-4,11-12H2
InChIKeyFIDCNNMKEVKCAP-UHFFFAOYSA-N
XLogP4.40
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

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CID 1864
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CID 9972296
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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 5-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol?
The IUPAC name of 5-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol (CID 10201356) is 5-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol.
What is the SMILES notation for 5-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol?
The canonical SMILES for 5-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol is OCCCCC(c1cc2cc3c(cc2[nH]1)OCO3)c1c[nH]c2cc3c(cc12)OCO3.
What is the InChIKey of 5-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol?
The InChIKey is FIDCNNMKEVKCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c26-4-2-1-3-14(16-10-24-18-9-23-21(7-15(16)18)28-12-30-23)19-5-13-6-20-22(29-11-27-20)8-17(13)25-19/h5-10,14,24-26H,1-4,11-12H2.
What are the key properties of 5-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol?
5-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol has a molecular weight of 406.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)pentan-1-ol is sourced from PubChem (CID 10201356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).