1,5-dichloropentan-2-ylbenzene

C11H14Cl2 — CID 70049955

IUPAC1,5-dichloropentan-2-ylbenzene
SMILESClCCCC(CCl)c1ccccc1
InChIInChI=1S/C11H14Cl2/c12-8-4-7-11(9-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKeyBHTAXPXLLRNDQM-UHFFFAOYSA-N
MW217.14 g/mol
LogP4.03
Rot. Bonds5

About 1,5-dichloropentan-2-ylbenzene

1,5-dichloropentan-2-ylbenzene (PubChem CID 70049955) has the molecular formula C11H14Cl2 and a molecular weight of 217.14 g/mol. Its IUPAC name is 1,5-dichloropentan-2-ylbenzene.

Molecular Properties

Compound Name1,5-dichloropentan-2-ylbenzene
PubChem CID70049955
Molecular FormulaC11H14Cl2
Molecular Weight217.14 g/mol
Exact Mass216.05
IUPAC Name1,5-dichloropentan-2-ylbenzene
SMILESClCCCC(CCl)c1ccccc1
InChIInChI=1S/C11H14Cl2/c12-8-4-7-11(9-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKeyBHTAXPXLLRNDQM-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 54.03
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-chlorooctan-2-ylbenzene
CID 66033446
1-chloropentan-2-ylbenzene
CID 524326
5-chloropentan-2-ylbenzene
CID 524354
(1,5-dichloro-2-methylpentyl)benzene
CID 174512568
5-chloro-1-phenylpentan-1-ol
CID 14449235
(7-chloro-4-methyl-1-phenylheptyl)benzene
CID 174655808
6-chloro-1-phenylhexan-1-ol
CID 10398289
(1-chloro-3-methoxypropan-2-yl)benzene
CID 103985106
(1-chloro-5-methylhex-5-en-3-yl)benzene
CID 91565278
(1-bromo-5-phenoxypentan-2-yl)benzene
CID 66042259
10-phenyltetradecan-5-ylbenzene
CID 22891787
1-(1-chlorohexan-2-yl)-4-methylbenzene
CID 79436846

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloropentan-2-ylbenzene?
The IUPAC name of 1,5-dichloropentan-2-ylbenzene (CID 70049955) is 1,5-dichloropentan-2-ylbenzene.
What is the SMILES notation for 1,5-dichloropentan-2-ylbenzene?
The canonical SMILES for 1,5-dichloropentan-2-ylbenzene is ClCCCC(CCl)c1ccccc1.
What is the InChIKey of 1,5-dichloropentan-2-ylbenzene?
The InChIKey is BHTAXPXLLRNDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2/c12-8-4-7-11(9-13)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2.
What are the key properties of 1,5-dichloropentan-2-ylbenzene?
1,5-dichloropentan-2-ylbenzene has a molecular weight of 217.14 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloropentan-2-ylbenzene is sourced from PubChem (CID 70049955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).