4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene

C17H12F2O2S — CID 20633777

IUPAC4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene
SMILESC=C1C=C(Sc2cc(F)ccc2F)c2cc(OC)ccc2O1
InChIInChI=1S/C17H12F2O2S/c1-10-7-16(22-17-8-11(18)3-5-14(17)19)13-9-12(20-2)4-6-15(13)21-10/h3-9H,1H2,2H3
InChIKeyGHUQHMNPPOBLIL-UHFFFAOYSA-N
MW318.34 g/mol
LogP5.01
Rot. Bonds3

About 4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene

4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene (PubChem CID 20633777) has the molecular formula C17H12F2O2S and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene
PubChem CID20633777
Molecular FormulaC17H12F2O2S
Molecular Weight318.34 g/mol
Exact Mass318.05
IUPAC Name4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene
SMILESC=C1C=C(Sc2cc(F)ccc2F)c2cc(OC)ccc2O1
InChIInChI=1S/C17H12F2O2S/c1-10-7-16(22-17-8-11(18)3-5-14(17)19)13-9-12(20-2)4-6-15(13)21-10/h3-9H,1H2,2H3
InChIKeyGHUQHMNPPOBLIL-UHFFFAOYSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.34
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene?
The IUPAC name of 4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene (CID 20633777) is 4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene.
What is the SMILES notation for 4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene?
The canonical SMILES for 4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene is C=C1C=C(Sc2cc(F)ccc2F)c2cc(OC)ccc2O1.
What is the InChIKey of 4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene?
The InChIKey is GHUQHMNPPOBLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2O2S/c1-10-7-16(22-17-8-11(18)3-5-14(17)19)13-9-12(20-2)4-6-15(13)21-10/h3-9H,1H2,2H3.
What are the key properties of 4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene?
4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene has a molecular weight of 318.34 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene is sourced from PubChem (CID 20633777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).