2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran

C21H24OS — CID 13402779

IUPAC2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran
SMILESCCCCOC1CC(c2ccccc2)C=C(c2ccccc2)S1
InChIInChI=1S/C21H24OS/c1-2-3-14-22-21-16-19(17-10-6-4-7-11-17)15-20(23-21)18-12-8-5-9-13-18/h4-13,15,19,21H,2-3,14,16H2,1H3
InChIKeyZNJQLUXCXGYUCJ-UHFFFAOYSA-N
MW324.49 g/mol
LogP6.09
Rot. Bonds6

About 2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran

2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran (PubChem CID 13402779) has the molecular formula C21H24OS and a molecular weight of 324.49 g/mol. Its IUPAC name is 2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran
PubChem CID13402779
Molecular FormulaC21H24OS
Molecular Weight324.49 g/mol
Exact Mass324.15
IUPAC Name2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran
SMILESCCCCOC1CC(c2ccccc2)C=C(c2ccccc2)S1
InChIInChI=1S/C21H24OS/c1-2-3-14-22-21-16-19(17-10-6-4-7-11-17)15-20(23-21)18-12-8-5-9-13-18/h4-13,15,19,21H,2-3,14,16H2,1H3
InChIKeyZNJQLUXCXGYUCJ-UHFFFAOYSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.49
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Tritylsulfanyl)ethanol
CID 279370
4-Methyl-2,6-diphenylthian-4-ol
CID 4455365
(3R)-3-benzyl-1-oxa-6,10-dithiaspiro[4.5]decane
CID 10084297
2-butoxy-4-phenyl-3,4,5,6-tetrahydro-2H-benzo[h]thiochromene
CID 13402781
(2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol
CID 15257345
Vusvxipfuymiia-uhfffaoysa-
CID 21578781
2,6-Diphenylthian-4-ol
CID 12198886
O-ethyl 2,2-diphenylethanethioate
CID 12284388
3-Phenyl-1,4-oxathiane
CID 15248367
Methylphenyl-pentylether
CID 21753763
Methylphenylethyl ether
CID 21831737
Vinylphenylpropyl-ether
CID 57107479

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran?
The IUPAC name of 2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran (CID 13402779) is 2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran is CCCCOC1CC(c2ccccc2)C=C(c2ccccc2)S1.
What is the InChIKey of 2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran?
The InChIKey is ZNJQLUXCXGYUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24OS/c1-2-3-14-22-21-16-19(17-10-6-4-7-11-17)15-20(23-21)18-12-8-5-9-13-18/h4-13,15,19,21H,2-3,14,16H2,1H3.
What are the key properties of 2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran?
2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran has a molecular weight of 324.49 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4,6-diphenyl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 13402779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).