4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran

C15H20O — CID 166005450

IUPAC4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran
SMILESCC(C)(C)c1ccc(C2=CCOCC2)cc1
InChIInChI=1S/C15H20O/c1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13/h4-8H,9-11H2,1-3H3
InChIKeyBJVJNHVVWLEPNJ-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.79
Rot. Bonds1

About 4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran

4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran (PubChem CID 166005450) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran
PubChem CID166005450
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran
SMILESCC(C)(C)c1ccc(C2=CCOCC2)cc1
InChIInChI=1S/C15H20O/c1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13/h4-8H,9-11H2,1-3H3
InChIKeyBJVJNHVVWLEPNJ-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran 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-tert-butylphenyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran (CID 166005450) is 4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran is CC(C)(C)c1ccc(C2=CCOCC2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran?
The InChIKey is BJVJNHVVWLEPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13/h4-8H,9-11H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran?
4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran has a molecular weight of 216.32 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 166005450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).