4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine

C14H17NO — CID 123693472

IUPAC4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine
SMILESCC(C)Oc1ccc(C2=CC=NCC2)cc1
InChIInChI=1S/C14H17NO/c1-11(2)16-14-5-3-12(4-6-14)13-7-9-15-10-8-13/h3-7,9,11H,8,10H2,1-2H3
InChIKeyGRBALOYBEWKQPL-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.33
Rot. Bonds3

About 4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine

4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine (PubChem CID 123693472) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine
PubChem CID123693472
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine
SMILESCC(C)Oc1ccc(C2=CC=NCC2)cc1
InChIInChI=1S/C14H17NO/c1-11(2)16-14-5-3-12(4-6-14)13-7-9-15-10-8-13/h3-7,9,11H,8,10H2,1-2H3
InChIKeyGRBALOYBEWKQPL-UHFFFAOYSA-N
XLogP3.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine 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 4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine?
The IUPAC name of 4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine (CID 123693472) is 4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine.
What is the SMILES notation for 4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine?
The canonical SMILES for 4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine is CC(C)Oc1ccc(C2=CC=NCC2)cc1.
What is the InChIKey of 4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine?
The InChIKey is GRBALOYBEWKQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11(2)16-14-5-3-12(4-6-14)13-7-9-15-10-8-13/h3-7,9,11H,8,10H2,1-2H3.
What are the key properties of 4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine?
4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine has a molecular weight of 215.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxyphenyl)-2,3-dihydropyridine is sourced from PubChem (CID 123693472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).