(5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone

C15H12ClNO3 — CID 106683863

IUPAC(5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone
SMILESCCOc1ccc2[nH]cc(C(=O)c3ccc(Cl)o3)c2c1
InChIInChI=1S/C15H12ClNO3/c1-2-19-9-3-4-12-10(7-9)11(8-17-12)15(18)13-5-6-14(16)20-13/h3-8,17H,2H2,1H3
InChIKeyTXWCXJVTTVEPND-UHFFFAOYSA-N
MW289.72 g/mol
LogP4.04
Rot. Bonds4

About (5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone

(5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone (PubChem CID 106683863) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone
PubChem CID106683863
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name(5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone
SMILESCCOc1ccc2[nH]cc(C(=O)c3ccc(Cl)o3)c2c1
InChIInChI=1S/C15H12ClNO3/c1-2-19-9-3-4-12-10(7-9)11(8-17-12)15(18)13-5-6-14(16)20-13/h3-8,17H,2H2,1H3
InChIKeyTXWCXJVTTVEPND-UHFFFAOYSA-N
XLogP4.04
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone
CID 80643738
(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 80649082
(5-bromofuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649231
(5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 80643241
1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
CID 114752203
1-(5-ethoxy-1H-indol-3-yl)-3,4,4-trimethylpentan-1-one
CID 80649085
(5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 106683904
1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one
CID 80642881
3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296
5-ethoxy-3-methyl-1H-indole
CID 82490542
furan-3-yl-(5-propoxy-1H-indol-3-yl)methanone
CID 80643315
2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 113208305

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone (CID 106683863) is (5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone is CCOc1ccc2[nH]cc(C(=O)c3ccc(Cl)o3)c2c1.
What is the InChIKey of (5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone?
The InChIKey is TXWCXJVTTVEPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-2-19-9-3-4-12-10(7-9)11(8-17-12)15(18)13-5-6-14(16)20-13/h3-8,17H,2H2,1H3.
What are the key properties of (5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone?
(5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone has a molecular weight of 289.72 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 106683863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).