2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one

C18H19ClO2 — CID 60623563

IUPAC2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)Oc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C18H19ClO2/c1-4-14-6-8-15(9-7-14)18(20)13(3)21-17-11-12(2)5-10-16(17)19/h5-11,13H,4H2,1-3H3
InChIKeyDZAJFKZZAYDZTK-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.86
Rot. Bonds5

About 2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one

2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one (PubChem CID 60623563) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one
PubChem CID60623563
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)Oc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C18H19ClO2/c1-4-14-6-8-15(9-7-14)18(20)13(3)21-17-11-12(2)5-10-16(17)19/h5-11,13H,4H2,1-3H3
InChIKeyDZAJFKZZAYDZTK-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 43411892
2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one
CID 62031979
2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64854262
2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one
CID 60626925
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
5-[[2-(2-chloro-5-methylphenoxy)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246213
2-(2-chloro-5-methylphenoxy)butanoyl chloride
CID 46779580
2-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 43799619
2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 43412278
2-(2-amino-4-methylphenoxy)-1-(4-ethylphenyl)butan-1-one
CID 46307783
4-ethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 55792665
(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 891501

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one (CID 60623563) is 2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one is CCc1ccc(C(=O)C(C)Oc2cc(C)ccc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one?
The InChIKey is DZAJFKZZAYDZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-4-14-6-8-15(9-7-14)18(20)13(3)21-17-11-12(2)5-10-16(17)19/h5-11,13H,4H2,1-3H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one?
2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one has a molecular weight of 302.80 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one is sourced from PubChem (CID 60623563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).