1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone

C14H10Cl2O2 — CID 677479

IUPAC1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C14H10Cl2O2/c1-9(17)13-7-6-12(8-14(13)16)18-11-4-2-10(15)3-5-11/h2-8H,1H3
InChIKeyBDTJIVUVQRVLLJ-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.99
Rot. Bonds3

About 1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone

1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone (PubChem CID 677479) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone
PubChem CID677479
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C14H10Cl2O2/c1-9(17)13-7-6-12(8-14(13)16)18-11-4-2-10(15)3-5-11/h2-8H,1H3
InChIKeyBDTJIVUVQRVLLJ-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

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Related Compounds

1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanone
CID 116792877
1-[4-(4-bromo-2,5-dichlorophenoxy)-2-chlorophenyl]ethanone
CID 107658611
1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane
CID 160666501
1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone
CID 142513728
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861732
2-chloro-4-(3-fluoro-4-methylphenoxy)benzoic acid
CID 107171000
4-(4-tert-butylphenoxy)-2-chlorobenzoic acid
CID 63512968
1-(4-but-3-yn-2-yloxy-2-chlorophenyl)ethanone
CID 106795011
2-chloro-4-[4-(methylamino)phenoxy]benzamide
CID 62945399
2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
CID 62946260
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
2,6-dichloro-4-(4-chlorophenoxy)phenol
CID 21278927

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone (CID 677479) is 1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone?
The InChIKey is BDTJIVUVQRVLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c1-9(17)13-7-6-12(8-14(13)16)18-11-4-2-10(15)3-5-11/h2-8H,1H3.
What are the key properties of 1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone?
1-[2-chloro-4-(4-chlorophenoxy)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-chloro-4-(4-chlorophenoxy)phenyl]ethanone is sourced from PubChem (CID 677479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).