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

C17H16Cl4O2 — CID 59168458

IUPAC1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene
SMILESClc1cc(Cl)cc(OCCCCCOc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H16Cl4O2/c18-12-6-13(19)9-16(8-12)22-4-2-1-3-5-23-17-10-14(20)7-15(21)11-17/h6-11H,1-5H2
InChIKeyZORNTTRZUKYJFW-UHFFFAOYSA-N
MW394.13 g/mol
LogP6.93
Rot. Bonds8

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

1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene (PubChem CID 59168458) has the molecular formula C17H16Cl4O2 and a molecular weight of 394.13 g/mol. Its IUPAC name is 1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene
PubChem CID59168458
Molecular FormulaC17H16Cl4O2
Molecular Weight394.13 g/mol
Exact Mass391.99
IUPAC Name1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene
SMILESClc1cc(Cl)cc(OCCCCCOc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H16Cl4O2/c18-12-6-13(19)9-16(8-12)22-4-2-1-3-5-23-17-10-14(20)7-15(21)11-17/h6-11H,1-5H2
InChIKeyZORNTTRZUKYJFW-UHFFFAOYSA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.13
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]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

1,3-dichloro-5-(5-chloropentoxy)benzene
CID 43621927
1-(2-bromoethoxy)-3,5-dichlorobenzene
CID 22246776
N-tert-butyl-4-(3,5-dichlorophenoxy)butan-1-amine
CID 62485378
2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol
CID 54038432
3-(3,5-dichlorophenoxy)propanethioamide
CID 43621954
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
3-chloro-5-(4-chlorobutoxy)pyridine
CID 64601364
6-(3,5-dichlorophenoxy)-2,2-dimethylhexanimidamide
CID 106712393
1-(8-bromooctoxy)-3-chlorobenzene
CID 131871951
1,2,3-trichloro-5-heptoxybenzene
CID 101293566
5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
CID 86262412
1-cyclopropyl-3-(3,5-dichlorophenoxy)propan-1-one
CID 39359938

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene?
The IUPAC name of 1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene (CID 59168458) is 1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene.
What is the SMILES notation for 1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene?
The canonical SMILES for 1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene is Clc1cc(Cl)cc(OCCCCCOc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene?
The InChIKey is ZORNTTRZUKYJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl4O2/c18-12-6-13(19)9-16(8-12)22-4-2-1-3-5-23-17-10-14(20)7-15(21)11-17/h6-11H,1-5H2.
What are the key properties of 1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene?
1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene has a molecular weight of 394.13 g/mol, XLogP of 6.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene is sourced from PubChem (CID 59168458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).