2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone

C23H18ClNO2 — CID 2568914

IUPAC2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone
SMILESCc1cc(Cl)ccc1OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H18ClNO2/c1-15-13-17(24)11-12-21(15)27-14-20(26)22-18-9-5-6-10-19(18)25-23(22)16-7-3-2-4-8-16/h2-13,25H,14H2,1H3
InChIKeyXPPNWMDZOPGQBI-UHFFFAOYSA-N
MW375.86 g/mol
LogP6.06
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone

2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone (PubChem CID 2568914) has the molecular formula C23H18ClNO2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone
PubChem CID2568914
Molecular FormulaC23H18ClNO2
Molecular Weight375.86 g/mol
Exact Mass375.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone
SMILESCc1cc(Cl)ccc1OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H18ClNO2/c1-15-13-17(24)11-12-21(15)27-14-20(26)22-18-9-5-6-10-19(18)25-23(22)16-7-3-2-4-8-16/h2-13,25H,14H2,1H3
InChIKeyXPPNWMDZOPGQBI-UHFFFAOYSA-N
XLogP6.06
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 7858967
3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile
CID 7757263
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate
CID 8804245
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865660
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate
CID 24558539
1-O-ethyl 4-O-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (E)-but-2-enedioate
CID 7851494
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662304
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate
CID 7758132
ethyl 5-[2-(4-chloro-2-methylphenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7916284
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 42984073
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate
CID 7599864
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625071

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone (CID 2568914) is 2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone is Cc1cc(Cl)ccc1OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone?
The InChIKey is XPPNWMDZOPGQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2/c1-15-13-17(24)11-12-21(15)27-14-20(26)22-18-9-5-6-10-19(18)25-23(22)16-7-3-2-4-8-16/h2-13,25H,14H2,1H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone?
2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone has a molecular weight of 375.86 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 2568914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).