2-phenyl-3,4-dihydro-2H-thiochromen-4-ol

C15H14OS — CID 76852718

IUPAC2-phenyl-3,4-dihydro-2H-thiochromen-4-ol
SMILESOC1CC(c2ccccc2)Sc2ccccc21
InChIInChI=1S/C15H14OS/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2
InChIKeyRCARQLFXTUCHCC-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.96
Rot. Bonds1

About 2-phenyl-3,4-dihydro-2H-thiochromen-4-ol

2-phenyl-3,4-dihydro-2H-thiochromen-4-ol (PubChem CID 76852718) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-phenyl-3,4-dihydro-2H-thiochromen-4-ol.

Molecular Properties

Compound Name2-phenyl-3,4-dihydro-2H-thiochromen-4-ol
PubChem CID76852718
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name2-phenyl-3,4-dihydro-2H-thiochromen-4-ol
SMILESOC1CC(c2ccccc2)Sc2ccccc21
InChIInChI=1S/C15H14OS/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2
InChIKeyRCARQLFXTUCHCC-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-3,4-dihydro-2H-thiochromen-4-ol 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 2-phenyl-3,4-dihydro-2H-thiochromen-4-ol?
The IUPAC name of 2-phenyl-3,4-dihydro-2H-thiochromen-4-ol (CID 76852718) is 2-phenyl-3,4-dihydro-2H-thiochromen-4-ol.
What is the SMILES notation for 2-phenyl-3,4-dihydro-2H-thiochromen-4-ol?
The canonical SMILES for 2-phenyl-3,4-dihydro-2H-thiochromen-4-ol is OC1CC(c2ccccc2)Sc2ccccc21.
What is the InChIKey of 2-phenyl-3,4-dihydro-2H-thiochromen-4-ol?
The InChIKey is RCARQLFXTUCHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2.
What are the key properties of 2-phenyl-3,4-dihydro-2H-thiochromen-4-ol?
2-phenyl-3,4-dihydro-2H-thiochromen-4-ol has a molecular weight of 242.34 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,4-dihydro-2H-thiochromen-4-ol is sourced from PubChem (CID 76852718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).