[2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol

C20H16N2O4 — CID 141043486

IUPAC[2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol
SMILESOCc1ccoc1-c1nn(Cc2ccccc2)c2cc3c(cc12)OCO3
InChIInChI=1S/C20H16N2O4/c23-11-14-6-7-24-20(14)19-15-8-17-18(26-12-25-17)9-16(15)22(21-19)10-13-4-2-1-3-5-13/h1-9,23H,10-12H2
InChIKeyCKVHFJSEDSAFDQ-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.57
Rot. Bonds4

About [2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol

[2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol (PubChem CID 141043486) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is [2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol.

Molecular Properties

Compound Name[2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol
PubChem CID141043486
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name[2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol
SMILESOCc1ccoc1-c1nn(Cc2ccccc2)c2cc3c(cc12)OCO3
InChIInChI=1S/C20H16N2O4/c23-11-14-6-7-24-20(14)19-15-8-17-18(26-12-25-17)9-16(15)22(21-19)10-13-4-2-1-3-5-13/h1-9,23H,10-12H2
InChIKeyCKVHFJSEDSAFDQ-UHFFFAOYSA-N
XLogP3.57
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(1-benzyl-6-methoxy-1H-indazol-3-yl)furan-2-yl]methanol
CID 9927654
[5-[1-[(4-Methoxyphenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 21106998
[5-(1-Benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-yl]methanol
CID 9841237
Methyl 5-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-carboxylate
CID 10090924
5-(1-Benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-2-carboxylic acid
CID 10316566
1-Benzyl-3-[5-(methoxymethyl)furan-2-yl]-[1,3]dioxolo[4,5-f]indazole
CID 10384020
5-(1-Benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid
CID 10926105
1-Benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole
CID 11024496
1-Benzyl-3-(5'-hydroxymethyl-2'-furyl)indazole
CID 17821993
1-[(2-Fluorophenyl)methyl]-3-(furan-2-yl)indazol-6-ol
CID 136121211
[2-(1-Benzyl-6-fluoroindazol-3-yl)furan-3-yl]methanol
CID 141023865
3-(3-Benzoyl-[1,3]dioxolo[4,5-f]indazol-1-yl)propanenitrile
CID 134956291

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol?
The IUPAC name of [2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol (CID 141043486) is [2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol.
What is the SMILES notation for [2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol?
The canonical SMILES for [2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol is OCc1ccoc1-c1nn(Cc2ccccc2)c2cc3c(cc12)OCO3.
What is the InChIKey of [2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol?
The InChIKey is CKVHFJSEDSAFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-11-14-6-7-24-20(14)19-15-8-17-18(26-12-25-17)9-16(15)22(21-19)10-13-4-2-1-3-5-13/h1-9,23H,10-12H2.
What are the key properties of [2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol?
[2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol has a molecular weight of 348.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzyl-[1,3]dioxolo[4,5-f]indazol-3-yl)furan-3-yl]methanol is sourced from PubChem (CID 141043486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).