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

C11H13Cl3 — CID 65316185

IUPAC1,4-dichloro-2-(4-chloropentyl)benzene
SMILESCC(Cl)CCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl3/c1-8(12)3-2-4-9-7-10(13)5-6-11(9)14/h5-8H,2-4H2,1H3
InChIKeyUTRZVBVCIQKCAD-UHFFFAOYSA-N
MW251.58 g/mol
LogP4.94
Rot. Bonds4

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

1,4-dichloro-2-(4-chloropentyl)benzene (PubChem CID 65316185) has the molecular formula C11H13Cl3 and a molecular weight of 251.58 g/mol. Its IUPAC name is 1,4-dichloro-2-(4-chloropentyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(4-chloropentyl)benzene
PubChem CID65316185
Molecular FormulaC11H13Cl3
Molecular Weight251.58 g/mol
Exact Mass250.01
IUPAC Name1,4-dichloro-2-(4-chloropentyl)benzene
SMILESCC(Cl)CCCc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl3/c1-8(12)3-2-4-9-7-10(13)5-6-11(9)14/h5-8H,2-4H2,1H3
InChIKeyUTRZVBVCIQKCAD-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.58
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-(2,5-dichlorophenyl)butan-2-amine
CID 95375914
N-[3-(2,5-dichlorophenyl)propyl]-2-methylpropan-1-amine
CID 64504930
4-(2,5-dichlorophenyl)butan-1-ol
CID 65316386
1-chloro-2-(3-chlorobutyl)-4-fluorobenzene
CID 105395959
1,4-dichloro-2-(2-methylhexyl)benzene
CID 174519359
1-(2,5-dichlorophenyl)hexane-3,4-diol
CID 83931430
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
N-[2-(2,5-dichlorophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405304
4-chloro-2-(4-chloro-5,5-dimethylhexyl)-1-fluorobenzene
CID 103050556
5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65303779
N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 65316170
1-(4-chloropentyl)-2-methylbenzene
CID 64515868

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(4-chloropentyl)benzene?
The IUPAC name of 1,4-dichloro-2-(4-chloropentyl)benzene (CID 65316185) is 1,4-dichloro-2-(4-chloropentyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(4-chloropentyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(4-chloropentyl)benzene is CC(Cl)CCCc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-(4-chloropentyl)benzene?
The InChIKey is UTRZVBVCIQKCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3/c1-8(12)3-2-4-9-7-10(13)5-6-11(9)14/h5-8H,2-4H2,1H3.
What are the key properties of 1,4-dichloro-2-(4-chloropentyl)benzene?
1,4-dichloro-2-(4-chloropentyl)benzene has a molecular weight of 251.58 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(4-chloropentyl)benzene is sourced from PubChem (CID 65316185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).