2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone

C23H21ClO2 — CID 7652853

IUPAC2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)COc2ccc(-c3ccccc3)cc2Cl)cc1C
InChIInChI=1S/C23H21ClO2/c1-15-11-17(3)20(12-16(15)2)22(25)14-26-23-10-9-19(13-21(23)24)18-7-5-4-6-8-18/h4-13H,14H2,1-3H3
InChIKeyDMDZGLAAUYLGHC-UHFFFAOYSA-N
MW364.87 g/mol
LogP6.19
Rot. Bonds5

About 2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone

2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 7652853) has the molecular formula C23H21ClO2 and a molecular weight of 364.87 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID7652853
Molecular FormulaC23H21ClO2
Molecular Weight364.87 g/mol
Exact Mass364.12
IUPAC Name2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)COc2ccc(-c3ccccc3)cc2Cl)cc1C
InChIInChI=1S/C23H21ClO2/c1-15-11-17(3)20(12-16(15)2)22(25)14-26-23-10-9-19(13-21(23)24)18-7-5-4-6-8-18/h4-13H,14H2,1-3H3
InChIKeyDMDZGLAAUYLGHC-UHFFFAOYSA-N
XLogP6.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.87
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
2-(2-chloro-4-phenylphenoxy)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone
CID 7652892
5-(2-chloro-4-phenylphenoxy)pentan-2-one
CID 62029499
ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate
CID 7653195
N-(2-amino-2-methylpropyl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119627165
3-[(2-chloro-4-phenylphenoxy)methyl]pentan-3-ol
CID 114495970
1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone
CID 62673255
2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 24639231
3-chloro-4-[2-(2-methylphenyl)-2-oxoethoxy]benzonitrile
CID 60971514
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate
CID 8546642
2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119401188
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone (CID 7652853) is 2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)COc2ccc(-c3ccccc3)cc2Cl)cc1C.
What is the InChIKey of 2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is DMDZGLAAUYLGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClO2/c1-15-11-17(3)20(12-16(15)2)22(25)14-26-23-10-9-19(13-21(23)24)18-7-5-4-6-8-18/h4-13H,14H2,1-3H3.
What are the key properties of 2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone?
2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 364.87 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylphenoxy)-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 7652853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).