tert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate

C17H21NO3 — CID 135798470

IUPACtert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate
SMILESCC1=NC(c2ccccc2)CC(O)=C1C(=O)OC(C)(C)C
InChIInChI=1S/C17H21NO3/c1-11-15(16(20)21-17(2,3)4)14(19)10-13(18-11)12-8-6-5-7-9-12/h5-9,13,19H,10H2,1-4H3
InChIKeyWUDHIFDPZNSWSL-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.75
Rot. Bonds2

About tert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate

tert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate (PubChem CID 135798470) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate
PubChem CID135798470
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Nametert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate
SMILESCC1=NC(c2ccccc2)CC(O)=C1C(=O)OC(C)(C)C
InChIInChI=1S/C17H21NO3/c1-11-15(16(20)21-17(2,3)4)14(19)10-13(18-11)12-8-6-5-7-9-12/h5-9,13,19H,10H2,1-4H3
InChIKeyWUDHIFDPZNSWSL-UHFFFAOYSA-N
XLogP3.75
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate (CID 135798470) is tert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate is CC1=NC(c2ccccc2)CC(O)=C1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate?
The InChIKey is WUDHIFDPZNSWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-15(16(20)21-17(2,3)4)14(19)10-13(18-11)12-8-6-5-7-9-12/h5-9,13,19H,10H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate?
tert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-6-methyl-2-phenyl-2,3-dihydropyridine-5-carboxylate is sourced from PubChem (CID 135798470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).