1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone

C16H14Cl2O3 — CID 43798625

IUPAC1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone
SMILESO=C(COCCOc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2O3/c17-12-6-7-14(15(18)10-12)16(19)11-20-8-9-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2
InChIKeyOUBSZRYUPKDXAN-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.27
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone

1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone (PubChem CID 43798625) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone
PubChem CID43798625
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone
SMILESO=C(COCCOc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2O3/c17-12-6-7-14(15(18)10-12)16(19)11-20-8-9-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2
InChIKeyOUBSZRYUPKDXAN-UHFFFAOYSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone
CID 103178840
1-(2,5-dimethylthiophen-3-yl)-2-(2-phenoxyethoxy)ethanone
CID 43798594
2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843771
2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130832
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
CID 2302578
1-(2,5-dibromothiophen-3-yl)-2-(2-phenoxyethoxy)ethanone
CID 43798615
4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
CID 7818712
1-(2-chlorophenyl)-3-phenoxypropan-1-one
CID 61029805
N-(4-chloro-2,6-difluorophenyl)-2-(2-phenoxyethoxy)acetamide
CID 75443246
[2-(2,4-dichlorophenyl)-2-oxoethyl] acetate
CID 59753951

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone (CID 43798625) is 1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone is O=C(COCCOc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone?
The InChIKey is OUBSZRYUPKDXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c17-12-6-7-14(15(18)10-12)16(19)11-20-8-9-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone?
1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone has a molecular weight of 325.19 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone is sourced from PubChem (CID 43798625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).