7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole

C24H27NO — CID 138742854

IUPAC7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole
SMILESCC(C)(CCC(C)(C)c1cccc2cc[nH]c12)c1ccc2ccoc2c1
InChIInChI=1S/C24H27NO/c1-23(2,19-9-8-17-11-15-26-21(17)16-19)12-13-24(3,4)20-7-5-6-18-10-14-25-22(18)20/h5-11,14-16,25H,12-13H2,1-4H3
InChIKeyYHGTXSCJHRIHCY-UHFFFAOYSA-N
MW345.49 g/mol
LogP6.95
Rot. Bonds5

About 7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole

7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole (PubChem CID 138742854) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole.

Molecular Properties

Compound Name7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole
PubChem CID138742854
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole
SMILESCC(C)(CCC(C)(C)c1cccc2cc[nH]c12)c1ccc2ccoc2c1
InChIInChI=1S/C24H27NO/c1-23(2,19-9-8-17-11-15-26-21(17)16-19)12-13-24(3,4)20-7-5-6-18-10-14-25-22(18)20/h5-11,14-16,25H,12-13H2,1-4H3
InChIKeyYHGTXSCJHRIHCY-UHFFFAOYSA-N
XLogP6.95
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole
CID 167565439
7-[1-(7-tert-butyl-1-benzofuran-4-yl)-2-methylpropan-2-yl]-4-[2-(1H-indol-7-yl)-2-methylpropyl]-1H-isoindole
CID 174193998
7-(2-methylpentan-2-yl)-1-benzofuran
CID 130310594
3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol
CID 168924273
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 167577006
3-(2,5-dimethyl-5-naphthalen-2-ylhexan-2-yl)dibenzofuran
CID 167154926
CID 168924235
CID 168924235
7-(2,2-dimethylpropyl)-1H-indole
CID 69029945
2-[2-(1-benzofuran-5-yl)-2-methylpropyl]-8-tert-butyl-1,2,3,4-tetrahydroquinoxaline
CID 155427711
2-(1H-indol-5-yl)-2-methylpropan-1-amine
CID 116996128
3-(1-benzofuran-6-yl)-3,4,4-trifluoro-2-(methylamino)butan-1-ol
CID 166892359
1,7-ditert-butylnaphthalene
CID 59350345

Frequently Asked Questions

What is the IUPAC name of 7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole?
The IUPAC name of 7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole (CID 138742854) is 7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole.
What is the SMILES notation for 7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole?
The canonical SMILES for 7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole is CC(C)(CCC(C)(C)c1cccc2cc[nH]c12)c1ccc2ccoc2c1.
What is the InChIKey of 7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole?
The InChIKey is YHGTXSCJHRIHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-23(2,19-9-8-17-11-15-26-21(17)16-19)12-13-24(3,4)20-7-5-6-18-10-14-25-22(18)20/h5-11,14-16,25H,12-13H2,1-4H3.
What are the key properties of 7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole?
7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole has a molecular weight of 345.49 g/mol, XLogP of 6.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole is sourced from PubChem (CID 138742854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).