1-chloro-4-[4-(1-chloropentyl)phenyl]benzene

C17H18Cl2 — CID 22760341

IUPAC1-chloro-4-[4-(1-chloropentyl)phenyl]benzene
SMILESCCCCC(Cl)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18Cl2/c1-2-3-4-17(19)15-7-5-13(6-8-15)14-9-11-16(18)12-10-14/h5-12,17H,2-4H2,1H3
InChIKeyNWSXFAUJUSYPJH-UHFFFAOYSA-N
MW293.24 g/mol
LogP6.48
Rot. Bonds5

About 1-chloro-4-[4-(1-chloropentyl)phenyl]benzene

1-chloro-4-[4-(1-chloropentyl)phenyl]benzene (PubChem CID 22760341) has the molecular formula C17H18Cl2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 1-chloro-4-[4-(1-chloropentyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-(1-chloropentyl)phenyl]benzene
PubChem CID22760341
Molecular FormulaC17H18Cl2
Molecular Weight293.24 g/mol
Exact Mass292.08
IUPAC Name1-chloro-4-[4-(1-chloropentyl)phenyl]benzene
SMILESCCCCC(Cl)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18Cl2/c1-2-3-4-17(19)15-7-5-13(6-8-15)14-9-11-16(18)12-10-14/h5-12,17H,2-4H2,1H3
InChIKeyNWSXFAUJUSYPJH-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.24
LogP ≤ 56.48
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

1-chloro-4-(1-chlorooctyl)benzene
CID 63429176
1-(1-chloropentyl)-4-phenylbenzene
CID 63429246
1-(1-chloroheptyl)-4-methylbenzene
CID 114753474
1-(1-chlorooctyl)-4-propan-2-ylbenzene
CID 55199303
[4-chloro-4-(4-chlorophenyl)butyl]-dimethylsilane
CID 123841204
1-chloro-2-(4-chlorophenyl)hexan-1-amine
CID 70590029
1,3-bis(1-chloropentyl)benzene
CID 175007094
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
1-(1-chloroheptyl)-4-propylbenzene
CID 114753506
1-(1-butoxybutyl)-4-chlorobenzene
CID 56977636
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-(1-chloropentyl)phenyl]benzene?
The IUPAC name of 1-chloro-4-[4-(1-chloropentyl)phenyl]benzene (CID 22760341) is 1-chloro-4-[4-(1-chloropentyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-(1-chloropentyl)phenyl]benzene?
The canonical SMILES for 1-chloro-4-[4-(1-chloropentyl)phenyl]benzene is CCCCC(Cl)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[4-(1-chloropentyl)phenyl]benzene?
The InChIKey is NWSXFAUJUSYPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2/c1-2-3-4-17(19)15-7-5-13(6-8-15)14-9-11-16(18)12-10-14/h5-12,17H,2-4H2,1H3.
What are the key properties of 1-chloro-4-[4-(1-chloropentyl)phenyl]benzene?
1-chloro-4-[4-(1-chloropentyl)phenyl]benzene has a molecular weight of 293.24 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-(1-chloropentyl)phenyl]benzene is sourced from PubChem (CID 22760341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).