4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene

C20H22S — CID 54260613

IUPAC4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene
SMILESCC(=Cc1ccc2c(c1)C(C)(C)CCS2)c1ccccc1
InChIInChI=1S/C20H22S/c1-15(17-7-5-4-6-8-17)13-16-9-10-19-18(14-16)20(2,3)11-12-21-19/h4-10,13-14H,11-12H2,1-3H3
InChIKeyRDFXSYSWPGNGMK-UHFFFAOYSA-N
MW294.46 g/mol
LogP6.02
Rot. Bonds2

About 4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene

4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene (PubChem CID 54260613) has the molecular formula C20H22S and a molecular weight of 294.46 g/mol. Its IUPAC name is 4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene.

Molecular Properties

Compound Name4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene
PubChem CID54260613
Molecular FormulaC20H22S
Molecular Weight294.46 g/mol
Exact Mass294.14
IUPAC Name4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene
SMILESCC(=Cc1ccc2c(c1)C(C)(C)CCS2)c1ccccc1
InChIInChI=1S/C20H22S/c1-15(17-7-5-4-6-8-17)13-16-9-10-19-18(14-16)20(2,3)11-12-21-19/h4-10,13-14H,11-12H2,1-3H3
InChIKeyRDFXSYSWPGNGMK-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.46
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene?
The IUPAC name of 4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene (CID 54260613) is 4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene.
What is the SMILES notation for 4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene?
The canonical SMILES for 4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene is CC(=Cc1ccc2c(c1)C(C)(C)CCS2)c1ccccc1.
What is the InChIKey of 4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene?
The InChIKey is RDFXSYSWPGNGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22S/c1-15(17-7-5-4-6-8-17)13-16-9-10-19-18(14-16)20(2,3)11-12-21-19/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of 4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene?
4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene has a molecular weight of 294.46 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(2-phenylprop-1-enyl)-2,3-dihydrothiochromene is sourced from PubChem (CID 54260613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).