2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone

C20H23NO3 — CID 58055308

IUPAC2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
SMILESCC(C)Oc1ncccc1-c1ccc2c(c1)CC(C(=O)CO)CC2
InChIInChI=1S/C20H23NO3/c1-13(2)24-20-18(4-3-9-21-20)15-7-5-14-6-8-16(19(23)12-22)11-17(14)10-15/h3-5,7,9-10,13,16,22H,6,8,11-12H2,1-2H3
InChIKeyAGOKRRXEQNMQBD-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.20
Rot. Bonds5

About 2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone

2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone (PubChem CID 58055308) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
PubChem CID58055308
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
SMILESCC(C)Oc1ncccc1-c1ccc2c(c1)CC(C(=O)CO)CC2
InChIInChI=1S/C20H23NO3/c1-13(2)24-20-18(4-3-9-21-20)15-7-5-14-6-8-16(19(23)12-22)11-17(14)10-15/h3-5,7,9-10,13,16,22H,6,8,11-12H2,1-2H3
InChIKeyAGOKRRXEQNMQBD-UHFFFAOYSA-N
XLogP3.20
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone (CID 58055308) is 2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone is CC(C)Oc1ncccc1-c1ccc2c(c1)CC(C(=O)CO)CC2.
What is the InChIKey of 2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
The InChIKey is AGOKRRXEQNMQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13(2)24-20-18(4-3-9-21-20)15-7-5-14-6-8-16(19(23)12-22)11-17(14)10-15/h3-5,7,9-10,13,16,22H,6,8,11-12H2,1-2H3.
What are the key properties of 2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone?
2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone is sourced from PubChem (CID 58055308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).