1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene

C17H16Cl4O2 — CID 141132428

IUPAC1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene
SMILESCCC(CC)(Oc1cc(Cl)cc(Cl)c1)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H16Cl4O2/c1-3-17(4-2,22-15-7-11(18)5-12(19)8-15)23-16-9-13(20)6-14(21)10-16/h5-10H,3-4H2,1-2H3
InChIKeyJJKUSJRNUNNGNP-UHFFFAOYSA-N
MW394.13 g/mol
LogP7.27
Rot. Bonds6

About 1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene

1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene (PubChem CID 141132428) has the molecular formula C17H16Cl4O2 and a molecular weight of 394.13 g/mol. Its IUPAC name is 1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene
PubChem CID141132428
Molecular FormulaC17H16Cl4O2
Molecular Weight394.13 g/mol
Exact Mass391.99
IUPAC Name1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene
SMILESCCC(CC)(Oc1cc(Cl)cc(Cl)c1)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H16Cl4O2/c1-3-17(4-2,22-15-7-11(18)5-12(19)8-15)23-16-9-13(20)6-14(21)10-16/h5-10H,3-4H2,1-2H3
InChIKeyJJKUSJRNUNNGNP-UHFFFAOYSA-N
XLogP7.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.13
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene 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

3,4'-Dichlorodiphenyl ether
CID 81283
3-Chlorodiphenyl ether
CID 94325
3,5-Dichlorophenyl acetate
CID 96641
3,5-Dichlorodiphenyl ether
CID 13788119
3,3'-Dichlorodiphenyl ether
CID 165557
3,3',5,5'-Tetrachlorodiphenyl ether
CID 20160982
3,3',4,4',5-Pentachlorodiphenyl ether
CID 92419
3,4,4',5-Tetrachlorodiphenyl ether
CID 21680693
3,4',5-Trichlorodiphenyl ether
CID 90650
3,3',4,5'-Tetrachlorodiphenyl ether
CID 23274711
Benzene, 1,1'-(ethylidenebis(oxy))bis(2,4-dichloro-
CID 6453604
3,3',4,4',5,5'-Hexachlorodiphenyl ether
CID 71402176

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene?
The IUPAC name of 1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene (CID 141132428) is 1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene.
What is the SMILES notation for 1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene?
The canonical SMILES for 1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene is CCC(CC)(Oc1cc(Cl)cc(Cl)c1)Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene?
The InChIKey is JJKUSJRNUNNGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl4O2/c1-3-17(4-2,22-15-7-11(18)5-12(19)8-15)23-16-9-13(20)6-14(21)10-16/h5-10H,3-4H2,1-2H3.
What are the key properties of 1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene?
1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene has a molecular weight of 394.13 g/mol, XLogP of 7.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[3-(3,5-dichlorophenoxy)pentan-3-yloxy]benzene is sourced from PubChem (CID 141132428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).