2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone

C17H13Cl2NO3 — CID 170771181

IUPAC2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone
SMILESCn1c(O)c(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C17H13Cl2NO3/c1-20-13-5-3-2-4-11(13)16(17(20)22)14(21)9-23-15-7-6-10(18)8-12(15)19/h2-8,22H,9H2,1H3
InChIKeyQRNNKFFUPJKNLC-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.45
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone

2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone (PubChem CID 170771181) has the molecular formula C17H13Cl2NO3 and a molecular weight of 350.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone
PubChem CID170771181
Molecular FormulaC17H13Cl2NO3
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Name2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone
SMILESCn1c(O)c(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C17H13Cl2NO3/c1-20-13-5-3-2-4-11(13)16(17(20)22)14(21)9-23-15-7-6-10(18)8-12(15)19/h2-8,22H,9H2,1H3
InChIKeyQRNNKFFUPJKNLC-UHFFFAOYSA-N
XLogP4.45
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2,4-dichlorophenoxy)acetyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 19114955
2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 7858967
6-amino-5-[2-(2,4-dichlorophenoxy)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2479912
2-[2-[(2,4-dichlorophenoxy)methyl]-1-methylindol-3-yl]-N-[3-(dimethylamino)propyl]-N-methyl-2-oxoacetamide
CID 20662397
2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 99965989
2-(2,4-dichlorophenoxy)-N-(1-methylbenzimidazol-2-yl)acetamide
CID 35280310
2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3262118
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865660
2-(2,4-dichlorophenoxy)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 4054497
6-chloro-7-[2-(1,2-dimethylindol-3-yl)-2-oxoethoxy]-4-propylchromen-2-one
CID 3766898
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone (CID 170771181) is 2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone is Cn1c(O)c(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc21.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone?
The InChIKey is QRNNKFFUPJKNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3/c1-20-13-5-3-2-4-11(13)16(17(20)22)14(21)9-23-15-7-6-10(18)8-12(15)19/h2-8,22H,9H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone?
2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone has a molecular weight of 350.20 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone is sourced from PubChem (CID 170771181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).