(5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone

C17H17NO3 — CID 65151388

IUPAC(5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3c(C)oc(C)c3C)c2c1
InChIInChI=1S/C17H17NO3/c1-9-10(2)21-11(3)16(9)17(19)14-8-18-15-6-5-12(20-4)7-13(14)15/h5-8,18H,1-4H3
InChIKeyIIXGSLUICYPJLZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.93
Rot. Bonds3

About (5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone

(5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 65151388) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID65151388
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3c(C)oc(C)c3C)c2c1
InChIInChI=1S/C17H17NO3/c1-9-10(2)21-11(3)16(9)17(19)14-8-18-15-6-5-12(20-4)7-13(14)15/h5-8,18H,1-4H3
InChIKeyIIXGSLUICYPJLZ-UHFFFAOYSA-N
XLogP3.93
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127463
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
4-(5-methoxy-1H-indole-3-carbonyl)benzonitrile
CID 53417893
(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 79685949
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486
5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 113206039
(3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43248300

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of (5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone (CID 65151388) is (5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for (5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for (5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone is COc1ccc2[nH]cc(C(=O)c3c(C)oc(C)c3C)c2c1.
What is the InChIKey of (5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is IIXGSLUICYPJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-9-10(2)21-11(3)16(9)17(19)14-8-18-15-6-5-12(20-4)7-13(14)15/h5-8,18H,1-4H3.
What are the key properties of (5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone?
(5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 283.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-3-yl)-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 65151388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).