1-chloro-2-(2-chloro-5-phenylpentyl)benzene

C17H18Cl2 — CID 63518283

IUPAC1-chloro-2-(2-chloro-5-phenylpentyl)benzene
SMILESClc1ccccc1CC(Cl)CCCc1ccccc1
InChIInChI=1S/C17H18Cl2/c18-16(13-15-10-4-5-12-17(15)19)11-6-9-14-7-2-1-3-8-14/h1-5,7-8,10,12,16H,6,9,11,13H2
InChIKeyCFQDSPFVRLCDTA-UHFFFAOYSA-N
MW293.24 g/mol
LogP5.51
Rot. Bonds6

About 1-chloro-2-(2-chloro-5-phenylpentyl)benzene

1-chloro-2-(2-chloro-5-phenylpentyl)benzene (PubChem CID 63518283) has the molecular formula C17H18Cl2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 1-chloro-2-(2-chloro-5-phenylpentyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(2-chloro-5-phenylpentyl)benzene
PubChem CID63518283
Molecular FormulaC17H18Cl2
Molecular Weight293.24 g/mol
Exact Mass292.08
IUPAC Name1-chloro-2-(2-chloro-5-phenylpentyl)benzene
SMILESClc1ccccc1CC(Cl)CCCc1ccccc1
InChIInChI=1S/C17H18Cl2/c18-16(13-15-10-4-5-12-17(15)19)11-6-9-14-7-2-1-3-8-14/h1-5,7-8,10,12,16H,6,9,11,13H2
InChIKeyCFQDSPFVRLCDTA-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.24
LogP ≤ 55.51
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

2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid
CID 63402472
1-chloro-2-(2-chlorohexyl)benzene
CID 63519497
1-chloro-2-(2-phenylethyl)benzene
CID 21495838
1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63417051
1-(2-chlorophenyl)-4-phenylbutan-1-ol
CID 62607678
1-chloro-2-[3-(4-phenylphenyl)propyl]benzene
CID 173254966
[(3R)-3,4-dichlorobutyl]benzene
CID 129394752
1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine
CID 102622741
1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol
CID 106868054
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
2-benzyl-3-(2-chlorophenyl)propan-1-amine
CID 62504845
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211329

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-chloro-5-phenylpentyl)benzene?
The IUPAC name of 1-chloro-2-(2-chloro-5-phenylpentyl)benzene (CID 63518283) is 1-chloro-2-(2-chloro-5-phenylpentyl)benzene.
What is the SMILES notation for 1-chloro-2-(2-chloro-5-phenylpentyl)benzene?
The canonical SMILES for 1-chloro-2-(2-chloro-5-phenylpentyl)benzene is Clc1ccccc1CC(Cl)CCCc1ccccc1.
What is the InChIKey of 1-chloro-2-(2-chloro-5-phenylpentyl)benzene?
The InChIKey is CFQDSPFVRLCDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2/c18-16(13-15-10-4-5-12-17(15)19)11-6-9-14-7-2-1-3-8-14/h1-5,7-8,10,12,16H,6,9,11,13H2.
What are the key properties of 1-chloro-2-(2-chloro-5-phenylpentyl)benzene?
1-chloro-2-(2-chloro-5-phenylpentyl)benzene has a molecular weight of 293.24 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-chloro-5-phenylpentyl)benzene is sourced from PubChem (CID 63518283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).