6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene

C29H30OS — CID 140923532

IUPAC6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene
SMILESCCOc1ccc2cc(C3CCC(c4ccc(-c5ccc(C)cc5)cc4)CC3)sc2c1
InChIInChI=1S/C29H30OS/c1-3-30-27-17-16-26-18-28(31-29(26)19-27)25-14-12-24(13-15-25)23-10-8-22(9-11-23)21-6-4-20(2)5-7-21/h4-11,16-19,24-25H,3,12-15H2,1-2H3
InChIKeyRVEUZRHPMJBOQT-UHFFFAOYSA-N
MW426.63 g/mol
LogP8.72
Rot. Bonds5

About 6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene

6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene (PubChem CID 140923532) has the molecular formula C29H30OS and a molecular weight of 426.63 g/mol. Its IUPAC name is 6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene.

Molecular Properties

Compound Name6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene
PubChem CID140923532
Molecular FormulaC29H30OS
Molecular Weight426.63 g/mol
Exact Mass426.20
IUPAC Name6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene
SMILESCCOc1ccc2cc(C3CCC(c4ccc(-c5ccc(C)cc5)cc4)CC3)sc2c1
InChIInChI=1S/C29H30OS/c1-3-30-27-17-16-26-18-28(31-29(26)19-27)25-14-12-24(13-15-25)23-10-8-22(9-11-23)21-6-4-20(2)5-7-21/h4-11,16-19,24-25H,3,12-15H2,1-2H3
InChIKeyRVEUZRHPMJBOQT-UHFFFAOYSA-N
XLogP8.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.63
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
6-ethoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1-benzothiophene
CID 140923390
2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene
CID 142760460
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
6-methoxy-2-(4-methylcyclohexyl)-1-benzothiophene
CID 19002831
2-[4-(6-ethoxy-1-benzothiophen-2-yl)phenyl]-5-(4-ethylcyclohexyl)oxane
CID 140923529
6-ethoxy-2-[2-(4-propylcyclohexyl)ethyl]-1-benzothiophene
CID 140923464
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346
1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene
CID 20539326
2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methoxy]cyclohex-3-en-1-yl]-6-ethoxy-1-benzothiophene
CID 134486769
1-ethoxy-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzene
CID 67864703
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene?
The IUPAC name of 6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene (CID 140923532) is 6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene.
What is the SMILES notation for 6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene?
The canonical SMILES for 6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene is CCOc1ccc2cc(C3CCC(c4ccc(-c5ccc(C)cc5)cc4)CC3)sc2c1.
What is the InChIKey of 6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene?
The InChIKey is RVEUZRHPMJBOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30OS/c1-3-30-27-17-16-26-18-28(31-29(26)19-27)25-14-12-24(13-15-25)23-10-8-22(9-11-23)21-6-4-20(2)5-7-21/h4-11,16-19,24-25H,3,12-15H2,1-2H3.
What are the key properties of 6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene?
6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene has a molecular weight of 426.63 g/mol, XLogP of 8.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[4-[4-(4-methylphenyl)phenyl]cyclohexyl]-1-benzothiophene is sourced from PubChem (CID 140923532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).