4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene

C18H14ClFOS — CID 163938010

IUPAC4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene
SMILESC=Cc1ccc(F)c2c1OCC(C)=C2Sc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClFOS/c1-3-12-4-9-15(20)16-17(12)21-10-11(2)18(16)22-14-7-5-13(19)6-8-14/h3-9H,1,10H2,2H3
InChIKeyROMKTFZLSGVPOC-UHFFFAOYSA-N
MW332.83 g/mol
LogP6.04
Rot. Bonds3

About 4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene

4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene (PubChem CID 163938010) has the molecular formula C18H14ClFOS and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene
PubChem CID163938010
Molecular FormulaC18H14ClFOS
Molecular Weight332.83 g/mol
Exact Mass332.04
IUPAC Name4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene
SMILESC=Cc1ccc(F)c2c1OCC(C)=C2Sc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClFOS/c1-3-12-4-9-15(20)16-17(12)21-10-11(2)18(16)22-14-7-5-13(19)6-8-14/h3-9H,1,10H2,2H3
InChIKeyROMKTFZLSGVPOC-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.83
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene (CID 163938010) is 4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene is C=Cc1ccc(F)c2c1OCC(C)=C2Sc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene?
The InChIKey is ROMKTFZLSGVPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFOS/c1-3-12-4-9-15(20)16-17(12)21-10-11(2)18(16)22-14-7-5-13(19)6-8-14/h3-9H,1,10H2,2H3.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene?
4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene has a molecular weight of 332.83 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-8-ethenyl-5-fluoro-3-methyl-2H-chromene is sourced from PubChem (CID 163938010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).