4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole

C24H29NO — CID 167565439

IUPAC4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole
SMILESCC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2occc12
InChIInChI=1S/C12H15N.C12H14O/c1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11/h4-8,13H,1-3H3;4-8H,1-3H3
InChIKeyFFHGBPGOIKABJD-UHFFFAOYSA-N
MW347.50 g/mol
LogP7.20
Rot. Bonds

About 4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole

4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole (PubChem CID 167565439) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole.

Molecular Properties

Compound Name4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole
PubChem CID167565439
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole
SMILESCC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2occc12
InChIInChI=1S/C12H15N.C12H14O/c1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11/h4-8,13H,1-3H3;4-8H,1-3H3
InChIKeyFFHGBPGOIKABJD-UHFFFAOYSA-N
XLogP7.20
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-[5-(1-benzofuran-6-yl)-2,5-dimethylhexan-2-yl]-1H-indole
CID 138742854
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
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
7-(2,2-dimethylpropyl)-1H-indole
CID 69029945
10-tert-butylnaphtho[2,3-b][1]benzofuran
CID 164787377
5-tert-butyl-2H-isoquinolin-3-one
CID 139382730
4-bromo-1-benzofuran;ethane
CID 166455445
6-tert-butyl-5-methyl-1-benzofuran
CID 155403484
7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole
CID 59674725
N-propan-2-yl-1H-indol-7-amine
CID 83481688
1,7-ditert-butylnaphthalene
CID 59350345
ethane;hydrazine;7-methyl-1H-indole
CID 91172685

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole?
The IUPAC name of 4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole (CID 167565439) is 4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole.
What is the SMILES notation for 4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole?
The canonical SMILES for 4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole is CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2occc12.
What is the InChIKey of 4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole?
The InChIKey is FFHGBPGOIKABJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C12H14O/c1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11/h4-8,13H,1-3H3;4-8H,1-3H3.
What are the key properties of 4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole?
4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole has a molecular weight of 347.50 g/mol, XLogP of 7.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-benzofuran;7-tert-butyl-1H-indole is sourced from PubChem (CID 167565439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).