2,4-dichloro-1-octan-4-ylbenzene

C14H20Cl2 — CID 130458080

IUPAC2,4-dichloro-1-octan-4-ylbenzene
SMILESCCCCC(CCC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2/c1-3-5-7-11(6-4-2)13-9-8-12(15)10-14(13)16/h8-11H,3-7H2,1-2H3
InChIKeyZGTVWYQYEORKOV-UHFFFAOYSA-N
MW259.22 g/mol
LogP6.07
Rot. Bonds6

About 2,4-dichloro-1-octan-4-ylbenzene

2,4-dichloro-1-octan-4-ylbenzene (PubChem CID 130458080) has the molecular formula C14H20Cl2 and a molecular weight of 259.22 g/mol. Its IUPAC name is 2,4-dichloro-1-octan-4-ylbenzene.

Molecular Properties

Compound Name2,4-dichloro-1-octan-4-ylbenzene
PubChem CID130458080
Molecular FormulaC14H20Cl2
Molecular Weight259.22 g/mol
Exact Mass258.09
IUPAC Name2,4-dichloro-1-octan-4-ylbenzene
SMILESCCCCC(CCC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2/c1-3-5-7-11(6-4-2)13-9-8-12(15)10-14(13)16/h8-11H,3-7H2,1-2H3
InChIKeyZGTVWYQYEORKOV-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.22
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-bromohexan-2-yl)-2,4-dichlorobenzene
CID 141179146
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
(2R)-1-(2,4-dichlorophenyl)hexane-1,2-diol
CID 147495518
2-(2,4-dichlorophenyl)pentan-1-ol;methanesulfonic acid
CID 88843036
1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol
CID 55200196
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
1-(1-bromodecyl)-2,4-dichlorobenzene
CID 65427160
2-(2,4-dichlorophenyl)hexan-3-amine
CID 83048374
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287
1-(2,4-dichlorophenyl)heptylhydrazine
CID 105293920
1-[1-(2,4-dichlorophenyl)pentyl]piperazine
CID 5226884
1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-octan-4-ylbenzene?
The IUPAC name of 2,4-dichloro-1-octan-4-ylbenzene (CID 130458080) is 2,4-dichloro-1-octan-4-ylbenzene.
What is the SMILES notation for 2,4-dichloro-1-octan-4-ylbenzene?
The canonical SMILES for 2,4-dichloro-1-octan-4-ylbenzene is CCCCC(CCC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-octan-4-ylbenzene?
The InChIKey is ZGTVWYQYEORKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2/c1-3-5-7-11(6-4-2)13-9-8-12(15)10-14(13)16/h8-11H,3-7H2,1-2H3.
What are the key properties of 2,4-dichloro-1-octan-4-ylbenzene?
2,4-dichloro-1-octan-4-ylbenzene has a molecular weight of 259.22 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-octan-4-ylbenzene is sourced from PubChem (CID 130458080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).