2-tert-butyl-5-(furan-2-yl)-1H-indole

C16H17NO — CID 168525578

IUPAC2-tert-butyl-5-(furan-2-yl)-1H-indole
SMILESCC(C)(C)c1cc2cc(-c3ccco3)ccc2[nH]1
InChIInChI=1S/C16H17NO/c1-16(2,3)15-10-12-9-11(6-7-13(12)17-15)14-5-4-8-18-14/h4-10,17H,1-3H3
InChIKeyVKXQHMJIHZZETN-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.73
Rot. Bonds1

About 2-tert-butyl-5-(furan-2-yl)-1H-indole

2-tert-butyl-5-(furan-2-yl)-1H-indole (PubChem CID 168525578) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-tert-butyl-5-(furan-2-yl)-1H-indole.

Molecular Properties

Compound Name2-tert-butyl-5-(furan-2-yl)-1H-indole
PubChem CID168525578
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-tert-butyl-5-(furan-2-yl)-1H-indole
SMILESCC(C)(C)c1cc2cc(-c3ccco3)ccc2[nH]1
InChIInChI=1S/C16H17NO/c1-16(2,3)15-10-12-9-11(6-7-13(12)17-15)14-5-4-8-18-14/h4-10,17H,1-3H3
InChIKeyVKXQHMJIHZZETN-UHFFFAOYSA-N
XLogP4.73
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-tert-butyl-1H-indole
CID 65337909
2-(2-tert-butyl-1H-indol-5-yl)isoindole-1,3-dione
CID 168516972
2-(4-fluoro-3-methylphenyl)furan
CID 135296198
N,N-diethyl-6-(furan-2-yl)naphthalen-2-amine
CID 139372580
4-(furan-2-yl)-6-methyl-1H-pyrimidine-2-thione
CID 106518148
2-(furan-2-yl)-5-methylsulfonyl-1H-indole
CID 22504447
2-tert-butyl-5-(furan-2-yl)isoindole-1,3-dione
CID 168527569
5-tert-butyl-2-(trifluoromethyl)-1H-indole
CID 84629986
2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan
CID 169050457
2-(furan-2-yl)-6-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 57047313
2-(3,5-dichlorophenyl)furan
CID 11557556
4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole
CID 66766300

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(furan-2-yl)-1H-indole?
The IUPAC name of 2-tert-butyl-5-(furan-2-yl)-1H-indole (CID 168525578) is 2-tert-butyl-5-(furan-2-yl)-1H-indole.
What is the SMILES notation for 2-tert-butyl-5-(furan-2-yl)-1H-indole?
The canonical SMILES for 2-tert-butyl-5-(furan-2-yl)-1H-indole is CC(C)(C)c1cc2cc(-c3ccco3)ccc2[nH]1.
What is the InChIKey of 2-tert-butyl-5-(furan-2-yl)-1H-indole?
The InChIKey is VKXQHMJIHZZETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-16(2,3)15-10-12-9-11(6-7-13(12)17-15)14-5-4-8-18-14/h4-10,17H,1-3H3.
What are the key properties of 2-tert-butyl-5-(furan-2-yl)-1H-indole?
2-tert-butyl-5-(furan-2-yl)-1H-indole has a molecular weight of 239.32 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(furan-2-yl)-1H-indole is sourced from PubChem (CID 168525578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).