4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole

C17H12ClNO2 — CID 141124827

IUPAC4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole
SMILESClc1ccc2occ(COc3cccc4[nH]ccc34)c2c1
InChIInChI=1S/C17H12ClNO2/c18-12-4-5-17-14(8-12)11(10-21-17)9-20-16-3-1-2-15-13(16)6-7-19-15/h1-8,10,19H,9H2
InChIKeyXVDVOMLOXPGWGV-UHFFFAOYSA-N
MW297.74 g/mol
LogP5.15
Rot. Bonds3

About 4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole

4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole (PubChem CID 141124827) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole.

Molecular Properties

Compound Name4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole
PubChem CID141124827
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole
SMILESClc1ccc2occ(COc3cccc4[nH]ccc34)c2c1
InChIInChI=1S/C17H12ClNO2/c18-12-4-5-17-14(8-12)11(10-21-17)9-20-16-3-1-2-15-13(16)6-7-19-15/h1-8,10,19H,9H2
InChIKeyXVDVOMLOXPGWGV-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-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole
CID 141124812
4-[(7-chloro-1-benzofuran-3-yl)methoxy]-1H-indole
CID 141124800
5-chloro-3-(methoxymethyl)-1-benzofuran
CID 117174343
5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174314
6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran
CID 117177608
(5-chloro-1-benzofuran-3-yl)methanol
CID 3757833
4-[(5-chloro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 11157314
5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole
CID 117175060
2-(5-chloro-1-benzofuran-3-yl)acetate
CID 9158984
3-[(2-fluorophenoxy)methyl]-1-benzofuran
CID 117170334
4-[(5-chloro-2-pyridinyl)oxy]-1H-indole
CID 22163801
5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117175045

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole?
The IUPAC name of 4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole (CID 141124827) is 4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole.
What is the SMILES notation for 4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole?
The canonical SMILES for 4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole is Clc1ccc2occ(COc3cccc4[nH]ccc34)c2c1.
What is the InChIKey of 4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole?
The InChIKey is XVDVOMLOXPGWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-12-4-5-17-14(8-12)11(10-21-17)9-20-16-3-1-2-15-13(16)6-7-19-15/h1-8,10,19H,9H2.
What are the key properties of 4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole?
4-[(5-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-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole is sourced from PubChem (CID 141124827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).