2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone

C17H17ClO2 — CID 60625071

IUPAC2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C17H17ClO2/c1-11-4-5-12(2)15(8-11)16(19)10-20-17-7-6-14(18)9-13(17)3/h4-9H,10H2,1-3H3
InChIKeyNIWVLUZSVDOOTJ-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.53
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone

2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone (PubChem CID 60625071) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
PubChem CID60625071
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(C(=O)COc2ccc(Cl)cc2C)c1
InChIInChI=1S/C17H17ClO2/c1-11-4-5-12(2)15(8-11)16(19)10-20-17-7-6-14(18)9-13(17)3/h4-9H,10H2,1-3H3
InChIKeyNIWVLUZSVDOOTJ-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone 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

2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662304
1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
CID 43413063
2-(4-chloro-3-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625035
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-chlorobenzoate
CID 882294
2-(2,4-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612483
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-one
CID 79396132
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
2-(2,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43411877
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
1-(2,5-dimethylphenyl)-2-(2-methylsulfanylphenoxy)ethanone
CID 63647847
2-(4-chloro-2-methylphenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110656262

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone (CID 60625071) is 2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(C(=O)COc2ccc(Cl)cc2C)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone?
The InChIKey is NIWVLUZSVDOOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-11-4-5-12(2)15(8-11)16(19)10-20-17-7-6-14(18)9-13(17)3/h4-9H,10H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone?
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone has a molecular weight of 288.77 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 60625071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).