2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol

C19H21NO2 — CID 46229771

IUPAC2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol
SMILESOc1ccc2c(c1)C1CCN(CCc3ccccc3)CC1O2
InChIInChI=1S/C19H21NO2/c21-15-6-7-18-17(12-15)16-9-11-20(13-19(16)22-18)10-8-14-4-2-1-3-5-14/h1-7,12,16,19,21H,8-11,13H2
InChIKeyMYMCFTDVKHXXAW-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.19
Rot. Bonds3

About 2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol

2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol (PubChem CID 46229771) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol.

Molecular Properties

Compound Name2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol
PubChem CID46229771
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol
SMILESOc1ccc2c(c1)C1CCN(CCc3ccccc3)CC1O2
InChIInChI=1S/C19H21NO2/c21-15-6-7-18-17(12-15)16-9-11-20(13-19(16)22-18)10-8-14-4-2-1-3-5-14/h1-7,12,16,19,21H,8-11,13H2
InChIKeyMYMCFTDVKHXXAW-UHFFFAOYSA-N
XLogP3.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol?
The IUPAC name of 2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol (CID 46229771) is 2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol.
What is the SMILES notation for 2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol?
The canonical SMILES for 2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol is Oc1ccc2c(c1)C1CCN(CCc3ccccc3)CC1O2.
What is the InChIKey of 2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol?
The InChIKey is MYMCFTDVKHXXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-15-6-7-18-17(12-15)16-9-11-20(13-19(16)22-18)10-8-14-4-2-1-3-5-14/h1-7,12,16,19,21H,8-11,13H2.
What are the key properties of 2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol?
2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol has a molecular weight of 295.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-3,4,4a,9a-tetrahydro-1H-[1]benzofuro[2,3-c]pyridin-6-ol is sourced from PubChem (CID 46229771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).