3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol

C18H19NO2 — CID 13469705

IUPAC3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol
SMILESCN1CCC2(c3cccc(O)c3)Oc3ccccc3C2C1
InChIInChI=1S/C18H19NO2/c1-19-10-9-18(13-5-4-6-14(20)11-13)16(12-19)15-7-2-3-8-17(15)21-18/h2-8,11,16,20H,9-10,12H2,1H3
InChIKeyQNSYVGQHDQXXNO-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.10
Rot. Bonds1

About 3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol

3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol (PubChem CID 13469705) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol.

Molecular Properties

Compound Name3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol
PubChem CID13469705
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol
SMILESCN1CCC2(c3cccc(O)c3)Oc3ccccc3C2C1
InChIInChI=1S/C18H19NO2/c1-19-10-9-18(13-5-4-6-14(20)11-13)16(12-19)15-7-2-3-8-17(15)21-18/h2-8,11,16,20H,9-10,12H2,1H3
InChIKeyQNSYVGQHDQXXNO-UHFFFAOYSA-N
XLogP3.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol?
The IUPAC name of 3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol (CID 13469705) is 3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol.
What is the SMILES notation for 3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol?
The canonical SMILES for 3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol is CN1CCC2(c3cccc(O)c3)Oc3ccccc3C2C1.
What is the InChIKey of 3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol?
The InChIKey is QNSYVGQHDQXXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-19-10-9-18(13-5-4-6-14(20)11-13)16(12-19)15-7-2-3-8-17(15)21-18/h2-8,11,16,20H,9-10,12H2,1H3.
What are the key properties of 3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol?
3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol has a molecular weight of 281.36 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol is sourced from PubChem (CID 13469705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).