2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran

C15H11FO2S — CID 90888389

IUPAC2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
SMILESCS(=O)c1c(-c2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C15H11FO2S/c1-19(17)15-12-4-2-3-5-13(12)18-14(15)10-6-8-11(16)9-7-10/h2-9H,1H3
InChIKeySRGJCSHXRCHVRO-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.98
Rot. Bonds2

About 2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran

2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran (PubChem CID 90888389) has the molecular formula C15H11FO2S and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
PubChem CID90888389
Molecular FormulaC15H11FO2S
Molecular Weight274.32 g/mol
Exact Mass274.05
IUPAC Name2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
SMILESCS(=O)c1c(-c2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C15H11FO2S/c1-19(17)15-12-4-2-3-5-13(12)18-14(15)10-6-8-11(16)9-7-10/h2-9H,1H3
InChIKeySRGJCSHXRCHVRO-UHFFFAOYSA-N
XLogP3.98
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139078206
5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139087024
2,3-bis(4-fluorophenyl)-1-benzofuran
CID 71732324
2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 154212021
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324902
4-[2-(4-fluorophenyl)-4-oxochromen-3-yl]benzaldehyde
CID 167313341
2-(4-bromophenyl)-5-methyl-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139072598
2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one
CID 175470085
7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole
CID 139071244
5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran
CID 139085974
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)chromene-4-thione
CID 18324932
5-cyclohexyl-3-[(S)-methylsulfinyl]-2-phenyl-1-benzofuran
CID 139080616

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran?
The IUPAC name of 2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran (CID 90888389) is 2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran?
The canonical SMILES for 2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran is CS(=O)c1c(-c2ccc(F)cc2)oc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran?
The InChIKey is SRGJCSHXRCHVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2S/c1-19(17)15-12-4-2-3-5-13(12)18-14(15)10-6-8-11(16)9-7-10/h2-9H,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran?
2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran has a molecular weight of 274.32 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran is sourced from PubChem (CID 90888389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).