1-[2-(3,4-dichlorophenoxy)phenyl]ethanone

C14H10Cl2O2 — CID 60699063

IUPAC1-[2-(3,4-dichlorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2O2/c1-9(17)11-4-2-3-5-14(11)18-10-6-7-12(15)13(16)8-10/h2-8H,1H3
InChIKeyISHBDYKQNJUEBM-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.99
Rot. Bonds3

About 1-[2-(3,4-dichlorophenoxy)phenyl]ethanone

1-[2-(3,4-dichlorophenoxy)phenyl]ethanone (PubChem CID 60699063) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenoxy)phenyl]ethanone
PubChem CID60699063
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name1-[2-(3,4-dichlorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2O2/c1-9(17)11-4-2-3-5-14(11)18-10-6-7-12(15)13(16)8-10/h2-8H,1H3
InChIKeyISHBDYKQNJUEBM-UHFFFAOYSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3,4-dichlorophenoxy)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-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanone
CID 43369973
1-[2-(4-fluorophenoxy)phenyl]ethanone
CID 10633209
2-[2-(3,4-dichlorophenoxy)phenyl]-2-methoxyimino-N-methylacetamide
CID 54250767
1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 28880169
1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
CID 54898383
1-[4-(4-bromo-2,5-dichlorophenoxy)-2-chlorophenyl]ethanone
CID 107658611
1-[2-(4-nitrophenoxy)phenyl]ethanone
CID 7040232
2-chloro-4-(2-chlorophenoxy)benzoic acid
CID 62946411
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanone
CID 82972295
1-[2-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 20571965
1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone
CID 677479
2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride
CID 66573868

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-(3,4-dichlorophenoxy)phenyl]ethanone (CID 60699063) is 1-[2-(3,4-dichlorophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(3,4-dichlorophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(3,4-dichlorophenoxy)phenyl]ethanone is CC(=O)c1ccccc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichlorophenoxy)phenyl]ethanone?
The InChIKey is ISHBDYKQNJUEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c1-9(17)11-4-2-3-5-14(11)18-10-6-7-12(15)13(16)8-10/h2-8H,1H3.
What are the key properties of 1-[2-(3,4-dichlorophenoxy)phenyl]ethanone?
1-[2-(3,4-dichlorophenoxy)phenyl]ethanone has a molecular weight of 281.14 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenoxy)phenyl]ethanone is sourced from PubChem (CID 60699063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).