2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone

C18H16ClNO2 — CID 21380764

IUPAC2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone
SMILESCCn1cc(C(=O)COc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C18H16ClNO2/c1-2-20-11-14(13-7-3-5-9-16(13)20)17(21)12-22-18-10-6-4-8-15(18)19/h3-11H,2,12H2,1H3
InChIKeyRKDNXSOYFGGWCO-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.58
Rot. Bonds5

About 2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone

2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone (PubChem CID 21380764) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone
PubChem CID21380764
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone
SMILESCCn1cc(C(=O)COc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C18H16ClNO2/c1-2-20-11-14(13-7-3-5-9-16(13)20)17(21)12-22-18-10-6-4-8-15(18)19/h3-11H,2,12H2,1H3
InChIKeyRKDNXSOYFGGWCO-UHFFFAOYSA-N
XLogP4.58
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380760
1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone
CID 21380759
2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380761
1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]propan-1-one
CID 58967722
[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
CID 1292806
3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide
CID 146154131
2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
CID 14069757
1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one
CID 955241
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 1-ethylindole-3-carboxylate
CID 46640406
2-(2-chlorophenoxy)-N-(1-ethyl-2-hydroxyindol-3-yl)iminoacetamide
CID 135674715
3-[3-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]indol-1-yl]propanenitrile
CID 55312171
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone (CID 21380764) is 2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone is CCn1cc(C(=O)COc2ccccc2Cl)c2ccccc21.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone?
The InChIKey is RKDNXSOYFGGWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-2-20-11-14(13-7-3-5-9-16(13)20)17(21)12-22-18-10-6-4-8-15(18)19/h3-11H,2,12H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone?
2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone has a molecular weight of 313.78 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-(1-ethylindol-3-yl)ethanone is sourced from PubChem (CID 21380764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).