8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol

C16H21NO3 — CID 117440448

IUPAC8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
SMILESNC1(c2c3c(c(O)c4c2OCC4)OCC3)CCCCC1
InChIInChI=1S/C16H21NO3/c17-16(6-2-1-3-7-16)12-10-4-8-20-15(10)13(18)11-5-9-19-14(11)12/h18H,1-9,17H2
InChIKeyOCVHSXOWNXWKST-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.38
Rot. Bonds1

About 8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol

8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol (PubChem CID 117440448) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol.

Molecular Properties

Compound Name8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
PubChem CID117440448
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
SMILESNC1(c2c3c(c(O)c4c2OCC4)OCC3)CCCCC1
InChIInChI=1S/C16H21NO3/c17-16(6-2-1-3-7-16)12-10-4-8-20-15(10)13(18)11-5-9-19-14(11)12/h18H,1-9,17H2
InChIKeyOCVHSXOWNXWKST-UHFFFAOYSA-N
XLogP2.38
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol with MolForge

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Related Compounds

10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol
CID 117467561
1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclohexan-1-amine
CID 117474079
1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopentan-1-amine
CID 117402327
1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopentan-1-amine
CID 117448866
1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid
CID 117409785
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine
CID 117464038
1-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)cyclopropan-1-amine
CID 117301025
8-(2-aminopropyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117342172
5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117456215
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)cyclopentan-1-amine
CID 117315938
6-(1-aminocyclopentyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117376057
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutan-1-amine
CID 117322946

Frequently Asked Questions

What is the IUPAC name of 8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The IUPAC name of 8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol (CID 117440448) is 8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol.
What is the SMILES notation for 8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The canonical SMILES for 8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol is NC1(c2c3c(c(O)c4c2OCC4)OCC3)CCCCC1.
What is the InChIKey of 8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
The InChIKey is OCVHSXOWNXWKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c17-16(6-2-1-3-7-16)12-10-4-8-20-15(10)13(18)11-5-9-19-14(11)12/h18H,1-9,17H2.
What are the key properties of 8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol?
8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol has a molecular weight of 275.35 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol is sourced from PubChem (CID 117440448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).