1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone

C16H14Cl2O2 — CID 106863598

IUPAC1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(Cl)ccc1OCc1ccc(C)cc1Cl
InChIInChI=1S/C16H14Cl2O2/c1-10-3-4-12(15(18)7-10)9-20-16-6-5-13(17)8-14(16)11(2)19/h3-8H,9H2,1-2H3
InChIKeyYPOSDSDOHRAQHV-UHFFFAOYSA-N
MW309.19 g/mol
LogP5.08
Rot. Bonds4

About 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone

1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone (PubChem CID 106863598) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
PubChem CID106863598
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(Cl)ccc1OCc1ccc(C)cc1Cl
InChIInChI=1S/C16H14Cl2O2/c1-10-3-4-12(15(18)7-10)9-20-16-6-5-13(17)8-14(16)11(2)19/h3-8H,9H2,1-2H3
InChIKeyYPOSDSDOHRAQHV-UHFFFAOYSA-N
XLogP5.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.19
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]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

1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone
CID 106863595
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
4-[(2-acetyl-4-chlorophenoxy)methyl]-7-methylchromen-2-one
CID 3491002
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid
CID 106861515
2-(2-acetyl-4-chlorophenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7167790
1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78906437
1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 103046643
[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322638
5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride
CID 46779766
5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779761
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone
CID 103046263

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone (CID 106863598) is 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone is CC(=O)c1cc(Cl)ccc1OCc1ccc(C)cc1Cl.
What is the InChIKey of 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone?
The InChIKey is YPOSDSDOHRAQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-10-3-4-12(15(18)7-10)9-20-16-6-5-13(17)8-14(16)11(2)19/h3-8H,9H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone?
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone has a molecular weight of 309.19 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 106863598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).