1,4-dichloro-2-(1-chlorooctyl)benzene

C14H19Cl3 — CID 63436691

IUPAC1,4-dichloro-2-(1-chlorooctyl)benzene
SMILESCCCCCCCC(Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl3/c1-2-3-4-5-6-7-13(16)12-10-11(15)8-9-14(12)17/h8-10,13H,2-7H2,1H3
InChIKeyYFZUXBDBNRIYOY-UHFFFAOYSA-N
MW293.66 g/mol
LogP6.63
Rot. Bonds7

About 1,4-dichloro-2-(1-chlorooctyl)benzene

1,4-dichloro-2-(1-chlorooctyl)benzene (PubChem CID 63436691) has the molecular formula C14H19Cl3 and a molecular weight of 293.66 g/mol. Its IUPAC name is 1,4-dichloro-2-(1-chlorooctyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(1-chlorooctyl)benzene
PubChem CID63436691
Molecular FormulaC14H19Cl3
Molecular Weight293.66 g/mol
Exact Mass292.06
IUPAC Name1,4-dichloro-2-(1-chlorooctyl)benzene
SMILESCCCCCCCC(Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl3/c1-2-3-4-5-6-7-13(16)12-10-11(15)8-9-14(12)17/h8-10,13H,2-7H2,1H3
InChIKeyYFZUXBDBNRIYOY-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.66
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(1-chlorooctyl)-4,5-difluorobenzene
CID 107477246
1-(2,5-dichlorophenyl)-N-methylnonan-1-amine
CID 65449520
1-(2,5-dichlorophenyl)-N-methyldecan-1-amine
CID 65449519
1-(2,5-dichlorophenyl)-N-methylhexan-1-amine
CID 43486640
1-chloro-4-(1-chlorooctyl)benzene
CID 63429176
1-(1-bromodecyl)-2,4-dichlorobenzene
CID 65427160
1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085
1-(2,4-dichlorophenyl)heptylhydrazine
CID 105293920
1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine
CID 115845912
2-(1-bromononyl)-4-chloro-1-methoxybenzene
CID 104546445
1-(5-chloro-2-methylphenyl)-N-methylnonan-1-amine
CID 115835500

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(1-chlorooctyl)benzene?
The IUPAC name of 1,4-dichloro-2-(1-chlorooctyl)benzene (CID 63436691) is 1,4-dichloro-2-(1-chlorooctyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(1-chlorooctyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(1-chlorooctyl)benzene is CCCCCCCC(Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-(1-chlorooctyl)benzene?
The InChIKey is YFZUXBDBNRIYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl3/c1-2-3-4-5-6-7-13(16)12-10-11(15)8-9-14(12)17/h8-10,13H,2-7H2,1H3.
What are the key properties of 1,4-dichloro-2-(1-chlorooctyl)benzene?
1,4-dichloro-2-(1-chlorooctyl)benzene has a molecular weight of 293.66 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(1-chlorooctyl)benzene is sourced from PubChem (CID 63436691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).