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

C21H30OS — CID 140923464

IUPAC6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene
SMILESCCCC1CCC(CCc2cc3ccc(OCC)cc3s2)CC1
InChIInChI=1S/C21H30OS/c1-3-5-16-6-8-17(9-7-16)10-13-20-14-18-11-12-19(22-4-2)15-21(18)23-20/h11-12,14-17H,3-10,13H2,1-2H3
InChIKeyALTSQPSBGGRVRA-UHFFFAOYSA-N
MW330.54 g/mol
LogP6.84
Rot. Bonds7

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

6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene (PubChem CID 140923464) has the molecular formula C21H30OS and a molecular weight of 330.54 g/mol. Its IUPAC name is 6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene.

Molecular Properties

Compound Name6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene
PubChem CID140923464
Molecular FormulaC21H30OS
Molecular Weight330.54 g/mol
Exact Mass330.20
IUPAC Name6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene
SMILESCCCC1CCC(CCc2cc3ccc(OCC)cc3s2)CC1
InChIInChI=1S/C21H30OS/c1-3-5-16-6-8-17(9-7-16)10-13-20-14-18-11-12-19(22-4-2)15-21(18)23-20/h11-12,14-17H,3-10,13H2,1-2H3
InChIKeyALTSQPSBGGRVRA-UHFFFAOYSA-N
XLogP6.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.54
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethoxy-2-[(E)-2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-1-benzothiophene
CID 140923484
6-ethoxy-2-[(4-propylphenoxy)methyl]-1-benzothiophene
CID 140923523
6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene
CID 140923390
2-[difluoro-[4-(4-propylcyclohexen-1-yl)phenyl]methoxy]-6-ethoxy-1-benzothiophene
CID 140923450
2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139877588
2-[[4-(4-butylphenyl)-2,3-difluorophenoxy]methyl]-6-ethoxy-1-benzothiophene
CID 140923488
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416
2-[4-(6-ethoxy-1-benzothiophen-2-yl)phenyl]-5-(4-ethylcyclohexyl)oxane
CID 140923529
(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
CID 65422984
2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861552
6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene
CID 140923532
6-(4-ethoxyphenyl)-2-[(2-fluoro-4-propylphenoxy)methyl]-1-benzothiophene
CID 140923490

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene?
The IUPAC name of 6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene (CID 140923464) is 6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene.
What is the SMILES notation for 6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene?
The canonical SMILES for 6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene is CCCC1CCC(CCc2cc3ccc(OCC)cc3s2)CC1.
What is the InChIKey of 6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene?
The InChIKey is ALTSQPSBGGRVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30OS/c1-3-5-16-6-8-17(9-7-16)10-13-20-14-18-11-12-19(22-4-2)15-21(18)23-20/h11-12,14-17H,3-10,13H2,1-2H3.
What are the key properties of 6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene?
6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene has a molecular weight of 330.54 g/mol, XLogP of 6.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene is sourced from PubChem (CID 140923464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).