6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene

C25H29FOS — CID 140923390

IUPAC6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene
SMILESCCCC1CCC(c2ccc(-c3cc4ccc(OCC)cc4s3)c(F)c2)CC1
InChIInChI=1S/C25H29FOS/c1-3-5-17-6-8-18(9-7-17)19-11-13-22(23(26)14-19)25-15-20-10-12-21(27-4-2)16-24(20)28-25/h10-18H,3-9H2,1-2H3
InChIKeyWATZCTZFWNQBEO-UHFFFAOYSA-N
MW396.57 g/mol
LogP8.18
Rot. Bonds6

About 6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene

6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene (PubChem CID 140923390) has the molecular formula C25H29FOS and a molecular weight of 396.57 g/mol. Its IUPAC name is 6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene.

Molecular Properties

Compound Name6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene
PubChem CID140923390
Molecular FormulaC25H29FOS
Molecular Weight396.57 g/mol
Exact Mass396.19
IUPAC Name6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene
SMILESCCCC1CCC(c2ccc(-c3cc4ccc(OCC)cc4s3)c(F)c2)CC1
InChIInChI=1S/C25H29FOS/c1-3-5-17-6-8-18(9-7-17)19-11-13-22(23(26)14-19)25-15-20-10-12-21(27-4-2)16-24(20)28-25/h10-18H,3-9H2,1-2H3
InChIKeyWATZCTZFWNQBEO-UHFFFAOYSA-N
XLogP8.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.57
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate
CID 70484285
6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene
CID 140923464
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 59874068
1-(2,2-difluoroethoxy)-2,3-difluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzene
CID 162516344
1-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 67901195
6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene
CID 140923532
2,6-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]pyridine
CID 19765472
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
1-ethoxy-2,3-difluoro-4-[2-fluoro-4-(4-nonylcyclohexyl)phenyl]benzene
CID 59874071
6-ethoxy-2-[4-[3-fluoro-4-[2-[3-fluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]ethynyl]phenyl]cyclohexyl]-1-benzothiophene
CID 134408917
2-heptoxy-6-(4-propylcyclohexyl)naphthalene
CID 20500463
2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
CID 70841823

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene?
The IUPAC name of 6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene (CID 140923390) is 6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene.
What is the SMILES notation for 6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene?
The canonical SMILES for 6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene is CCCC1CCC(c2ccc(-c3cc4ccc(OCC)cc4s3)c(F)c2)CC1.
What is the InChIKey of 6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene?
The InChIKey is WATZCTZFWNQBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FOS/c1-3-5-17-6-8-18(9-7-17)19-11-13-22(23(26)14-19)25-15-20-10-12-21(27-4-2)16-24(20)28-25/h10-18H,3-9H2,1-2H3.
What are the key properties of 6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene?
6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene has a molecular weight of 396.57 g/mol, XLogP of 8.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene is sourced from PubChem (CID 140923390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).