2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol

C25H25NOS — CID 23588707

IUPAC2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol
SMILESCc1sc2ccccc2c1C1=C(c2c(C)n(CCO)c3ccccc23)CCC1
InChIInChI=1S/C25H25NOS/c1-16-24(20-8-3-5-12-22(20)26(16)14-15-27)18-10-7-11-19(18)25-17(2)28-23-13-6-4-9-21(23)25/h3-6,8-9,12-13,27H,7,10-11,14-15H2,1-2H3
InChIKeyCQSGLWDCFCXAGC-UHFFFAOYSA-N
MW387.55 g/mol
LogP6.56
Rot. Bonds4

About 2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol

2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol (PubChem CID 23588707) has the molecular formula C25H25NOS and a molecular weight of 387.55 g/mol. Its IUPAC name is 2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol
PubChem CID23588707
Molecular FormulaC25H25NOS
Molecular Weight387.55 g/mol
Exact Mass387.17
IUPAC Name2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol
SMILESCc1sc2ccccc2c1C1=C(c2c(C)n(CCO)c3ccccc23)CCC1
InChIInChI=1S/C25H25NOS/c1-16-24(20-8-3-5-12-22(20)26(16)14-15-27)18-10-7-11-19(18)25-17(2)28-23-13-6-4-9-21(23)25/h3-6,8-9,12-13,27H,7,10-11,14-15H2,1-2H3
InChIKeyCQSGLWDCFCXAGC-UHFFFAOYSA-N
XLogP6.56
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol with MolForge

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Related Compounds

2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene
CID 11143270
1-butyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindole
CID 129295391
5-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methylindol-1-yl]pentyl N-propylmethanimidate
CID 90687353
2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole
CID 144848350
3-(2-tert-butylcyclopenten-1-yl)-2-methyl-1-benzothiophene;3-(2-tert-butylcyclopenten-1-yl)-2-methyl-5-phenylthiophene
CID 163732404
2-(3-fluorocarbazol-9-yl)ethanol
CID 90309942
(2-methyl-1-propylindol-3-yl)methanol
CID 91556176
2-(2-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanol
CID 141282093
2-(3-aminocarbazol-9-yl)ethanol;hydrochloride
CID 66915381
2,3-dimethyl-5,6-bis(2-methyl-1-benzothiophen-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 11144430
2-[4-(2-carbazol-9-ylethyl)piperazin-1-yl]ethanol
CID 137460079
9-(2-hydroxyethyl)carbazol-4-ol
CID 68822373

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol?
The IUPAC name of 2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol (CID 23588707) is 2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol.
What is the SMILES notation for 2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol?
The canonical SMILES for 2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol is Cc1sc2ccccc2c1C1=C(c2c(C)n(CCO)c3ccccc23)CCC1.
What is the InChIKey of 2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol?
The InChIKey is CQSGLWDCFCXAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NOS/c1-16-24(20-8-3-5-12-22(20)26(16)14-15-27)18-10-7-11-19(18)25-17(2)28-23-13-6-4-9-21(23)25/h3-6,8-9,12-13,27H,7,10-11,14-15H2,1-2H3.
What are the key properties of 2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol?
2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol has a molecular weight of 387.55 g/mol, XLogP of 6.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol is sourced from PubChem (CID 23588707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).