5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran

C26H23FO2S — CID 139085974

IUPAC5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran
SMILESO=[S@](c1ccccc1)c1c(-c2ccc(F)cc2)oc2ccc(C3CCCCC3)cc12
InChIInChI=1S/C26H23FO2S/c27-21-14-11-19(12-15-21)25-26(30(28)22-9-5-2-6-10-22)23-17-20(13-16-24(23)29-25)18-7-3-1-4-8-18/h2,5-6,9-18H,1,3-4,7-8H2/t30-/m1/s1
InChIKeyLSIOGXXVCCWWTE-SSEXGKCCSA-N
MW418.53 g/mol
LogP7.45
Rot. Bonds4

About 5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran

5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran (PubChem CID 139085974) has the molecular formula C26H23FO2S and a molecular weight of 418.53 g/mol. Its IUPAC name is 5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran.

Molecular Properties

Compound Name5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran
PubChem CID139085974
Molecular FormulaC26H23FO2S
Molecular Weight418.53 g/mol
Exact Mass418.14
IUPAC Name5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran
SMILESO=[S@](c1ccccc1)c1c(-c2ccc(F)cc2)oc2ccc(C3CCCCC3)cc12
InChIInChI=1S/C26H23FO2S/c27-21-14-11-19(12-15-21)25-26(30(28)22-9-5-2-6-10-22)23-17-20(13-16-24(23)29-25)18-7-3-1-4-8-18/h2,5-6,9-18H,1,3-4,7-8H2/t30-/m1/s1
InChIKeyLSIOGXXVCCWWTE-SSEXGKCCSA-N
XLogP7.45
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.53
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclohexyl-3-[(S)-methylsulfinyl]-2-phenyl-1-benzofuran
CID 139080616
3-(benzenesulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran
CID 123511581
5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran
CID 139085700
2-cyclohexyldibenzofuran
CID 163628573
2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran
CID 90888389
2-(4-fluorophenyl)-5-iodo-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139078206
3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran
CID 123652375
5-fluoro-2-(3-fluorophenyl)-3-[(R)-methylsulfinyl]-1-benzofuran
CID 139087024
7-amino-3-(4-cyclobutylphenyl)-2-phenylchromen-4-one
CID 123287226
1-(benzenesulfinyl)-4-fluorobenzene
CID 21200956
2-(4-chlorophenyl)-3-[(S)-ethylsulfinyl]-5-fluoro-1-benzofuran
CID 139078549
1-cyclohexyl-4-fluorobenzene;phenylmethanol
CID 143134294

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran?
The IUPAC name of 5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran (CID 139085974) is 5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran.
What is the SMILES notation for 5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran?
The canonical SMILES for 5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran is O=[S@](c1ccccc1)c1c(-c2ccc(F)cc2)oc2ccc(C3CCCCC3)cc12.
What is the InChIKey of 5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran?
The InChIKey is LSIOGXXVCCWWTE-SSEXGKCCSA-N. The full InChI is InChI=1S/C26H23FO2S/c27-21-14-11-19(12-15-21)25-26(30(28)22-9-5-2-6-10-22)23-17-20(13-16-24(23)29-25)18-7-3-1-4-8-18/h2,5-6,9-18H,1,3-4,7-8H2/t30-/m1/s1.
What are the key properties of 5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran?
5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran has a molecular weight of 418.53 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran is sourced from PubChem (CID 139085974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).