2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene

C25H27FS — CID 134408908

IUPAC2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene
SMILESCCCc1ccc2cc(C3CCC(/C=C/c4ccc(F)cc4)CC3)sc2c1
InChIInChI=1S/C25H27FS/c1-2-3-20-8-13-22-17-25(27-24(22)16-20)21-11-6-18(7-12-21)4-5-19-9-14-23(26)15-10-19/h4-5,8-10,13-18,21H,2-3,6-7,11-12H2,1H3/b5-4+
InChIKeyFONOGHFNBLGADD-SNAWJCMRSA-N
MW378.56 g/mol
LogP7.98
Rot. Bonds5

About 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene

2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene (PubChem CID 134408908) has the molecular formula C25H27FS and a molecular weight of 378.56 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene.

Molecular Properties

Compound Name2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene
PubChem CID134408908
Molecular FormulaC25H27FS
Molecular Weight378.56 g/mol
Exact Mass378.18
IUPAC Name2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene
SMILESCCCc1ccc2cc(C3CCC(/C=C/c4ccc(F)cc4)CC3)sc2c1
InChIInChI=1S/C25H27FS/c1-2-3-20-8-13-22-17-25(27-24(22)16-20)21-11-6-18(7-12-21)4-5-19-9-14-23(26)15-10-19/h4-5,8-10,13-18,21H,2-3,6-7,11-12H2,1H3/b5-4+
InChIKeyFONOGHFNBLGADD-SNAWJCMRSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-propyl-2-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]-1-benzothiophene
CID 140923511
(2-cyclopropyl-1-benzothiophen-6-yl)methanamine
CID 84671842
6-[4-[(E)-prop-1-enyl]cyclohexyl]-2-(4-propylcyclohexyl)-1-benzothiophene
CID 140923425
(2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidine
CID 86590711
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene
CID 139863895
1-(4-ethylcyclohexyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
CID 77470247
1-[(E)-2-[4-(4-ethenyl-2,2-difluorocyclohexyl)cyclohexyl]ethenyl]-4-propylbenzene
CID 130352205
1-fluoro-4-propylbenzene
CID 2737505
1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
CID 71422815
2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082
1-(4-ethylphenyl)-2,3-difluoro-4-[2-[4-(2-fluoro-4-propylphenyl)cyclohexyl]ethenyl]benzene
CID 77470319
2,3-difluoro-1-[4-[2-(3-fluoro-4-propylphenyl)ethenyl]cyclohexyl]-4-pentylbenzene
CID 76658226

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene?
The IUPAC name of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene (CID 134408908) is 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene.
What is the SMILES notation for 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene?
The canonical SMILES for 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene is CCCc1ccc2cc(C3CCC(/C=C/c4ccc(F)cc4)CC3)sc2c1.
What is the InChIKey of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene?
The InChIKey is FONOGHFNBLGADD-SNAWJCMRSA-N. The full InChI is InChI=1S/C25H27FS/c1-2-3-20-8-13-22-17-25(27-24(22)16-20)21-11-6-18(7-12-21)4-5-19-9-14-23(26)15-10-19/h4-5,8-10,13-18,21H,2-3,6-7,11-12H2,1H3/b5-4+.
What are the key properties of 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene?
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene has a molecular weight of 378.56 g/mol, XLogP of 7.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(4-fluorophenyl)ethenyl]cyclohexyl]-6-propyl-1-benzothiophene is sourced from PubChem (CID 134408908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).