2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol

C19H21NO — CID 54425276

IUPAC2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol
SMILESCN1CCCC2C(c3ccccc3O)c3ccccc3C21
InChIInChI=1S/C19H21NO/c1-20-12-6-10-16-18(15-9-4-5-11-17(15)21)13-7-2-3-8-14(13)19(16)20/h2-5,7-9,11,16,18-19,21H,6,10,12H2,1H3
InChIKeyWDQMSSSIUMIYEQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.92
Rot. Bonds1

About 2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol

2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol (PubChem CID 54425276) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol.

Molecular Properties

Compound Name2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol
PubChem CID54425276
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol
SMILESCN1CCCC2C(c3ccccc3O)c3ccccc3C21
InChIInChI=1S/C19H21NO/c1-20-12-6-10-16-18(15-9-4-5-11-17(15)21)13-7-2-3-8-14(13)19(16)20/h2-5,7-9,11,16,18-19,21H,6,10,12H2,1H3
InChIKeyWDQMSSSIUMIYEQ-UHFFFAOYSA-N
XLogP3.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol?
The IUPAC name of 2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol (CID 54425276) is 2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol.
What is the SMILES notation for 2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol?
The canonical SMILES for 2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol is CN1CCCC2C(c3ccccc3O)c3ccccc3C21.
What is the InChIKey of 2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol?
The InChIKey is WDQMSSSIUMIYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-20-12-6-10-16-18(15-9-4-5-11-17(15)21)13-7-2-3-8-14(13)19(16)20/h2-5,7-9,11,16,18-19,21H,6,10,12H2,1H3.
What are the key properties of 2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol?
2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol has a molecular weight of 279.38 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol is sourced from PubChem (CID 54425276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).