2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone

C17H13Cl2NO3 — CID 99965989

IUPAC2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)n1cc(CO)c2ccccc21
InChIInChI=1S/C17H13Cl2NO3/c18-12-5-6-16(14(19)7-12)23-10-17(22)20-8-11(9-21)13-3-1-2-4-15(13)20/h1-8,21H,9-10H2
InChIKeyZSQIXISCVGXVLB-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.16
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone

2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone (PubChem CID 99965989) has the molecular formula C17H13Cl2NO3 and a molecular weight of 350.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone
PubChem CID99965989
Molecular FormulaC17H13Cl2NO3
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Name2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)n1cc(CO)c2ccccc21
InChIInChI=1S/C17H13Cl2NO3/c18-12-5-6-16(14(19)7-12)23-10-17(22)20-8-11(9-21)13-3-1-2-4-15(13)20/h1-8,21H,9-10H2
InChIKeyZSQIXISCVGXVLB-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dichlorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
CID 91690472
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 2321100
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 39711810
1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 17384308
2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone
CID 170771181
1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 1187384
1-[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 155952715
1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]indole-3-carbaldehyde
CID 99966920
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone (CID 99965989) is 2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone is O=C(COc1ccc(Cl)cc1Cl)n1cc(CO)c2ccccc21.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone?
The InChIKey is ZSQIXISCVGXVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3/c18-12-5-6-16(14(19)7-12)23-10-17(22)20-8-11(9-21)13-3-1-2-4-15(13)20/h1-8,21H,9-10H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone?
2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone has a molecular weight of 350.20 g/mol, XLogP of 4.16, 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-[3-(hydroxymethyl)indol-1-yl]ethanone is sourced from PubChem (CID 99965989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).