8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene

C23H22S — CID 3789165

IUPAC8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene
SMILESCc1ccc(C2CC(c3ccccc3)Sc3c(C)cccc32)cc1
InChIInChI=1S/C23H22S/c1-16-11-13-18(14-12-16)21-15-22(19-8-4-3-5-9-19)24-23-17(2)7-6-10-20(21)23/h3-14,21-22H,15H2,1-2H3
InChIKeyAJRSHRKCOCSRRX-UHFFFAOYSA-N
MW330.50 g/mol
LogP6.67
Rot. Bonds2

About 8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene

8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene (PubChem CID 3789165) has the molecular formula C23H22S and a molecular weight of 330.50 g/mol. Its IUPAC name is 8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene
PubChem CID3789165
Molecular FormulaC23H22S
Molecular Weight330.50 g/mol
Exact Mass330.14
IUPAC Name8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene
SMILESCc1ccc(C2CC(c3ccccc3)Sc3c(C)cccc32)cc1
InChIInChI=1S/C23H22S/c1-16-11-13-18(14-12-16)21-15-22(19-8-4-3-5-9-19)24-23-17(2)7-6-10-20(21)23/h3-14,21-22H,15H2,1-2H3
InChIKeyAJRSHRKCOCSRRX-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene?
The IUPAC name of 8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene (CID 3789165) is 8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene is Cc1ccc(C2CC(c3ccccc3)Sc3c(C)cccc32)cc1.
What is the InChIKey of 8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene?
The InChIKey is AJRSHRKCOCSRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22S/c1-16-11-13-18(14-12-16)21-15-22(19-8-4-3-5-9-19)24-23-17(2)7-6-10-20(21)23/h3-14,21-22H,15H2,1-2H3.
What are the key properties of 8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene?
8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene has a molecular weight of 330.50 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 3789165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).