4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole

C17H12ClNO2 — CID 141124800

IUPAC4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole
SMILESClc1cccc2c(COc3cccc4[nH]ccc34)coc12
InChIInChI=1S/C17H12ClNO2/c18-14-4-1-3-12-11(10-21-17(12)14)9-20-16-6-2-5-15-13(16)7-8-19-15/h1-8,10,19H,9H2
InChIKeyHCQCNUJDUPCURF-UHFFFAOYSA-N
MW297.74 g/mol
LogP5.15
Rot. Bonds3

About 4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole

4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole (PubChem CID 141124800) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole.

Molecular Properties

Compound Name4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole
PubChem CID141124800
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole
SMILESClc1cccc2c(COc3cccc4[nH]ccc34)coc12
InChIInChI=1S/C17H12ClNO2/c18-14-4-1-3-12-11(10-21-17(12)14)9-20-16-6-2-5-15-13(16)7-8-19-15/h1-8,10,19H,9H2
InChIKeyHCQCNUJDUPCURF-UHFFFAOYSA-N
XLogP5.15
TPSA38.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.74
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole
CID 141124827
7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117181095
4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole
CID 141124812
O-[(7-chloro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117197472
[3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180945
7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117181030
4-(3-methylbutoxy)-1H-indole
CID 141124794
3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181176
4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole
CID 141124782
3-[(4-chlorophenoxy)methyl]-7-methyl-1-benzofuran
CID 117186097
5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole
CID 117175060
3-(phenoxymethyl)-1-benzofuran-7-amine
CID 117181023

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole?
The IUPAC name of 4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole (CID 141124800) is 4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole.
What is the SMILES notation for 4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole?
The canonical SMILES for 4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole is Clc1cccc2c(COc3cccc4[nH]ccc34)coc12.
What is the InChIKey of 4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole?
The InChIKey is HCQCNUJDUPCURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-14-4-1-3-12-11(10-21-17(12)14)9-20-16-6-2-5-15-13(16)7-8-19-15/h1-8,10,19H,9H2.
What are the key properties of 4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole?
4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole has a molecular weight of 297.74 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole is sourced from PubChem (CID 141124800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).