1-chloro-2-(13-chlorotridecyl)benzene

C19H30Cl2 — CID 141077015

IUPAC1-chloro-2-(13-chlorotridecyl)benzene
SMILESClCCCCCCCCCCCCCc1ccccc1Cl
InChIInChI=1S/C19H30Cl2/c20-17-13-9-7-5-3-1-2-4-6-8-10-14-18-15-11-12-16-19(18)21/h11-12,15-16H,1-10,13-14,17H2
InChIKeyHZSOIYLCFJPWOM-UHFFFAOYSA-N
MW329.35 g/mol
LogP7.41
Rot. Bonds13

About 1-chloro-2-(13-chlorotridecyl)benzene

1-chloro-2-(13-chlorotridecyl)benzene (PubChem CID 141077015) has the molecular formula C19H30Cl2 and a molecular weight of 329.35 g/mol. Its IUPAC name is 1-chloro-2-(13-chlorotridecyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(13-chlorotridecyl)benzene
PubChem CID141077015
Molecular FormulaC19H30Cl2
Molecular Weight329.35 g/mol
Exact Mass328.17
IUPAC Name1-chloro-2-(13-chlorotridecyl)benzene
SMILESClCCCCCCCCCCCCCc1ccccc1Cl
InChIInChI=1S/C19H30Cl2/c20-17-13-9-7-5-3-1-2-4-6-8-10-14-18-15-11-12-16-19(18)21/h11-12,15-16H,1-10,13-14,17H2
InChIKeyHZSOIYLCFJPWOM-UHFFFAOYSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.35
LogP ≤ 57.41
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

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1-chloro-3-(3-chloropropyl)-2-fluorobenzene
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(13-chlorotridecyl)benzene?
The IUPAC name of 1-chloro-2-(13-chlorotridecyl)benzene (CID 141077015) is 1-chloro-2-(13-chlorotridecyl)benzene.
What is the SMILES notation for 1-chloro-2-(13-chlorotridecyl)benzene?
The canonical SMILES for 1-chloro-2-(13-chlorotridecyl)benzene is ClCCCCCCCCCCCCCc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(13-chlorotridecyl)benzene?
The InChIKey is HZSOIYLCFJPWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30Cl2/c20-17-13-9-7-5-3-1-2-4-6-8-10-14-18-15-11-12-16-19(18)21/h11-12,15-16H,1-10,13-14,17H2.
What are the key properties of 1-chloro-2-(13-chlorotridecyl)benzene?
1-chloro-2-(13-chlorotridecyl)benzene has a molecular weight of 329.35 g/mol, XLogP of 7.41, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(13-chlorotridecyl)benzene is sourced from PubChem (CID 141077015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).