8-methoxy-2-phenyl-4H-thiochromene

C16H14OS — CID 13248529

IUPAC8-methoxy-2-phenyl-4H-thiochromene
SMILESCOc1cccc2c1SC(c1ccccc1)=CC2
InChIInChI=1S/C16H14OS/c1-17-14-9-5-8-13-10-11-15(18-16(13)14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3
InChIKeyCEKZEECXDGOAJR-UHFFFAOYSA-N
MW254.35 g/mol
LogP4.38
Rot. Bonds2

About 8-methoxy-2-phenyl-4H-thiochromene

8-methoxy-2-phenyl-4H-thiochromene (PubChem CID 13248529) has the molecular formula C16H14OS and a molecular weight of 254.35 g/mol. Its IUPAC name is 8-methoxy-2-phenyl-4H-thiochromene.

Molecular Properties

Compound Name8-methoxy-2-phenyl-4H-thiochromene
PubChem CID13248529
Molecular FormulaC16H14OS
Molecular Weight254.35 g/mol
Exact Mass254.08
IUPAC Name8-methoxy-2-phenyl-4H-thiochromene
SMILESCOc1cccc2c1SC(c1ccccc1)=CC2
InChIInChI=1S/C16H14OS/c1-17-14-9-5-8-13-10-11-15(18-16(13)14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3
InChIKeyCEKZEECXDGOAJR-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-phenyl-4H-thiochromene?
The IUPAC name of 8-methoxy-2-phenyl-4H-thiochromene (CID 13248529) is 8-methoxy-2-phenyl-4H-thiochromene.
What is the SMILES notation for 8-methoxy-2-phenyl-4H-thiochromene?
The canonical SMILES for 8-methoxy-2-phenyl-4H-thiochromene is COc1cccc2c1SC(c1ccccc1)=CC2.
What is the InChIKey of 8-methoxy-2-phenyl-4H-thiochromene?
The InChIKey is CEKZEECXDGOAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14OS/c1-17-14-9-5-8-13-10-11-15(18-16(13)14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3.
What are the key properties of 8-methoxy-2-phenyl-4H-thiochromene?
8-methoxy-2-phenyl-4H-thiochromene has a molecular weight of 254.35 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-phenyl-4H-thiochromene is sourced from PubChem (CID 13248529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).