4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene

C17H13FO2S — CID 20633780

IUPAC4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene
SMILESC=C1C=C(Sc2ccccc2F)c2cc(OC)ccc2O1
InChIInChI=1S/C17H13FO2S/c1-11-9-17(21-16-6-4-3-5-14(16)18)13-10-12(19-2)7-8-15(13)20-11/h3-10H,1H2,2H3
InChIKeyGCKQSXPBLWWHOI-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.87
Rot. Bonds3

About 4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene

4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene (PubChem CID 20633780) has the molecular formula C17H13FO2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene
PubChem CID20633780
Molecular FormulaC17H13FO2S
Molecular Weight300.35 g/mol
Exact Mass300.06
IUPAC Name4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene
SMILESC=C1C=C(Sc2ccccc2F)c2cc(OC)ccc2O1
InChIInChI=1S/C17H13FO2S/c1-11-9-17(21-16-6-4-3-5-14(16)18)13-10-12(19-2)7-8-15(13)20-11/h3-10H,1H2,2H3
InChIKeyGCKQSXPBLWWHOI-UHFFFAOYSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene?
The IUPAC name of 4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene (CID 20633780) is 4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene.
What is the SMILES notation for 4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene?
The canonical SMILES for 4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene is C=C1C=C(Sc2ccccc2F)c2cc(OC)ccc2O1.
What is the InChIKey of 4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene?
The InChIKey is GCKQSXPBLWWHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO2S/c1-11-9-17(21-16-6-4-3-5-14(16)18)13-10-12(19-2)7-8-15(13)20-11/h3-10H,1H2,2H3.
What are the key properties of 4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene?
4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene has a molecular weight of 300.35 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfanyl-6-methoxy-2-methylidenechromene is sourced from PubChem (CID 20633780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).