4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol

C15H19NO — CID 158724904

IUPAC4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol
SMILESCC(C)(C)C1=NCCC(c2ccc(O)cc2)=C1
InChIInChI=1S/C15H19NO/c1-15(2,3)14-10-12(8-9-16-14)11-4-6-13(17)7-5-11/h4-7,10,17H,8-9H2,1-3H3
InChIKeyIKJMDRODZPZNSZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.67
Rot. Bonds1

About 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol

4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol (PubChem CID 158724904) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol.

Molecular Properties

Compound Name4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol
PubChem CID158724904
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol
SMILESCC(C)(C)C1=NCCC(c2ccc(O)cc2)=C1
InChIInChI=1S/C15H19NO/c1-15(2,3)14-10-12(8-9-16-14)11-4-6-13(17)7-5-11/h4-7,10,17H,8-9H2,1-3H3
InChIKeyIKJMDRODZPZNSZ-UHFFFAOYSA-N
XLogP3.67
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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benzene-1,4-diol;hydron
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4-tert-butylphenol;cobalt
CID 174380967
bis(4-tert-butylphenol);zirconium
CID 87864994
4-tert-butylphenol;titanium
CID 20801499
4-tert-butylphenol;nickel
CID 162056786
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 160883594
4-tert-butyl-2,3-dihydroazete
CID 147660331
4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenol
CID 135712912
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CID 136740069

Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol?
The IUPAC name of 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol (CID 158724904) is 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol.
What is the SMILES notation for 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol?
The canonical SMILES for 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol is CC(C)(C)C1=NCCC(c2ccc(O)cc2)=C1.
What is the InChIKey of 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol?
The InChIKey is IKJMDRODZPZNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(2,3)14-10-12(8-9-16-14)11-4-6-13(17)7-5-11/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol?
4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol has a molecular weight of 229.32 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butyl-2,3-dihydropyridin-4-yl)phenol is sourced from PubChem (CID 158724904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).