5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol

C19H20ClNO — CID 22767464

IUPAC5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
SMILESCN1CCCC2C(c3ccccc3Cl)c3cc(O)ccc3C21
InChIInChI=1S/C19H20ClNO/c1-21-10-4-6-15-18(14-5-2-3-7-17(14)20)16-11-12(22)8-9-13(16)19(15)21/h2-3,5,7-9,11,15,18-19,22H,4,6,10H2,1H3
InChIKeyUIHSSEDKRJSPCA-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.57
Rot. Bonds1

About 5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol

5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol (PubChem CID 22767464) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
PubChem CID22767464
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
SMILESCN1CCCC2C(c3ccccc3Cl)c3cc(O)ccc3C21
InChIInChI=1S/C19H20ClNO/c1-21-10-4-6-15-18(14-5-2-3-7-17(14)20)16-11-12(22)8-9-13(16)19(15)21/h2-3,5,7-9,11,15,18-19,22H,4,6,10H2,1H3
InChIKeyUIHSSEDKRJSPCA-UHFFFAOYSA-N
XLogP4.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol?
The IUPAC name of 5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol (CID 22767464) is 5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol.
What is the SMILES notation for 5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol?
The canonical SMILES for 5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol is CN1CCCC2C(c3ccccc3Cl)c3cc(O)ccc3C21.
What is the InChIKey of 5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol?
The InChIKey is UIHSSEDKRJSPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-21-10-4-6-15-18(14-5-2-3-7-17(14)20)16-11-12(22)8-9-13(16)19(15)21/h2-3,5,7-9,11,15,18-19,22H,4,6,10H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol?
5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol has a molecular weight of 313.83 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol is sourced from PubChem (CID 22767464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).