4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol

C25H27NO — CID 121324707

IUPAC4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol
SMILESCC1(C)C=C(c2ccccc2-c2ccc(O)c3ccccc23)CC(C)(C)N1
InChIInChI=1S/C25H27NO/c1-24(2)15-17(16-25(3,4)26-24)18-9-5-6-10-19(18)21-13-14-23(27)22-12-8-7-11-20(21)22/h5-15,26-27H,16H2,1-4H3
InChIKeyVHWYRQOUEQLKMO-UHFFFAOYSA-N
MW357.50 g/mol
LogP6.15
Rot. Bonds2

About 4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol

4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol (PubChem CID 121324707) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol
PubChem CID121324707
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol
SMILESCC1(C)C=C(c2ccccc2-c2ccc(O)c3ccccc23)CC(C)(C)N1
InChIInChI=1S/C25H27NO/c1-24(2)15-17(16-25(3,4)26-24)18-9-5-6-10-19(18)21-13-14-23(27)22-12-8-7-11-20(21)22/h5-15,26-27H,16H2,1-4H3
InChIKeyVHWYRQOUEQLKMO-UHFFFAOYSA-N
XLogP6.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol?
The IUPAC name of 4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol (CID 121324707) is 4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol.
What is the SMILES notation for 4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol?
The canonical SMILES for 4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol is CC1(C)C=C(c2ccccc2-c2ccc(O)c3ccccc23)CC(C)(C)N1.
What is the InChIKey of 4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol?
The InChIKey is VHWYRQOUEQLKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-24(2)15-17(16-25(3,4)26-24)18-9-5-6-10-19(18)21-13-14-23(27)22-12-8-7-11-20(21)22/h5-15,26-27H,16H2,1-4H3.
What are the key properties of 4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol?
4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol has a molecular weight of 357.50 g/mol, XLogP of 6.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)phenyl]naphthalen-1-ol is sourced from PubChem (CID 121324707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).