5-chloropentan-2-ylbenzene

C11H15Cl — CID 524354

IUPAC5-chloropentan-2-ylbenzene
SMILESCC(CCCCl)c1ccccc1
InChIInChI=1S/C11H15Cl/c1-10(6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3
InChIKeyYSNCVXFOCXALMP-UHFFFAOYSA-N
MW182.69 g/mol
LogP3.81
Rot. Bonds4

About 5-chloropentan-2-ylbenzene

5-chloropentan-2-ylbenzene (PubChem CID 524354) has the molecular formula C11H15Cl and a molecular weight of 182.69 g/mol. Its IUPAC name is 5-chloropentan-2-ylbenzene.

Molecular Properties

Compound Name5-chloropentan-2-ylbenzene
PubChem CID524354
Molecular FormulaC11H15Cl
Molecular Weight182.69 g/mol
Exact Mass182.09
IUPAC Name5-chloropentan-2-ylbenzene
SMILESCC(CCCCl)c1ccccc1
InChIInChI=1S/C11H15Cl/c1-10(6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3
InChIKeyYSNCVXFOCXALMP-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.69
LogP ≤ 53.81
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

4-chlorobutan-2-ylbenzene
CID 570466
1-chloro-4-(5-chloropentan-2-yl)benzene
CID 154098348
(1,5-dichloro-2-methylpentyl)benzene
CID 174512568
(7-chloro-4-methyl-1-phenylheptyl)benzene
CID 174655808
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
2,14-diphenylpentadecan-8-ol
CID 71175182
6-phenylhexan-2-ylbenzene
CID 19704587
pentan-2-ylbenzene
CID 17627
4-chloro-N-(3-phenylbutyl)butanamide
CID 63308144
1,5-dichloropentan-2-ylbenzene
CID 70049955
trichloro(3-phenylbutyl)silane
CID 12887571
ethane;(1-ethyl-5-phenylhexyl)benzene
CID 154659485

Frequently Asked Questions

What is the IUPAC name of 5-chloropentan-2-ylbenzene?
The IUPAC name of 5-chloropentan-2-ylbenzene (CID 524354) is 5-chloropentan-2-ylbenzene.
What is the SMILES notation for 5-chloropentan-2-ylbenzene?
The canonical SMILES for 5-chloropentan-2-ylbenzene is CC(CCCCl)c1ccccc1.
What is the InChIKey of 5-chloropentan-2-ylbenzene?
The InChIKey is YSNCVXFOCXALMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl/c1-10(6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3.
What are the key properties of 5-chloropentan-2-ylbenzene?
5-chloropentan-2-ylbenzene has a molecular weight of 182.69 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropentan-2-ylbenzene is sourced from PubChem (CID 524354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).