1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone

C17H14ClNO2 — CID 63879051

IUPAC1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C17H14ClNO2/c1-21-13-5-2-11(3-6-13)8-17(20)15-10-19-16-7-4-12(18)9-14(15)16/h2-7,9-10,19H,8H2,1H3
InChIKeyHRBUOZBFTOEXJC-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.26
Rot. Bonds4

About 1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone

1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone (PubChem CID 63879051) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
PubChem CID63879051
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C17H14ClNO2/c1-21-13-5-2-11(3-6-13)8-17(20)15-10-19-16-7-4-12(18)9-14(15)16/h2-7,9-10,19H,8H2,1H3
InChIKeyHRBUOZBFTOEXJC-UHFFFAOYSA-N
XLogP4.26
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1H-indol-3-yl)-2-(4-methylphenyl)ethanone
CID 63878353
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63555315
(5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone
CID 10361508
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005
(5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882260
7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one
CID 12002170
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206381
4-chloro-1-(5-methoxy-1H-indol-3-yl)butan-1-one
CID 21469454
1-(5-chloro-1H-indol-3-yl)octan-1-one
CID 63878518
1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
CID 63526993

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone (CID 63879051) is 1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is HRBUOZBFTOEXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-21-13-5-2-11(3-6-13)8-17(20)15-10-19-16-7-4-12(18)9-14(15)16/h2-7,9-10,19H,8H2,1H3.
What are the key properties of 1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone?
1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 299.76 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 63879051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).