1-chloropentan-2-ylbenzene

C11H15Cl — CID 524326

IUPAC1-chloropentan-2-ylbenzene
SMILESCCCC(CCl)c1ccccc1
InChIInChI=1S/C11H15Cl/c1-2-6-11(9-12)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3
InChIKeyOMCKNCCLQJXVEQ-UHFFFAOYSA-N
MW182.69 g/mol
LogP3.81
Rot. Bonds4

About 1-chloropentan-2-ylbenzene

1-chloropentan-2-ylbenzene (PubChem CID 524326) has the molecular formula C11H15Cl and a molecular weight of 182.69 g/mol. Its IUPAC name is 1-chloropentan-2-ylbenzene.

Molecular Properties

Compound Name1-chloropentan-2-ylbenzene
PubChem CID524326
Molecular FormulaC11H15Cl
Molecular Weight182.69 g/mol
Exact Mass182.09
IUPAC Name1-chloropentan-2-ylbenzene
SMILESCCCC(CCl)c1ccccc1
InChIInChI=1S/C11H15Cl/c1-2-6-11(9-12)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3
InChIKeyOMCKNCCLQJXVEQ-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

1-chlorooctan-2-ylbenzene
CID 66033446
1-(1-chloropentan-2-yl)-3-methylbenzene
CID 79417033
1,5-dichloropentan-2-ylbenzene
CID 70049955
1,1-diphenylhexan-3-ylbenzene
CID 57087261
2-phenylpentan-1-amine
CID 14321247
2-fluoroheptan-4-ylbenzene
CID 174378334
(1-chloro-3-methoxypropan-2-yl)benzene
CID 103985106
4,6-diphenylnonane-1,1-diol
CID 162161241
10-phenyltetradecan-5-ylbenzene
CID 22891787
4-heptan-4-ylbenzaldehyde;heptan-4-ylbenzene
CID 157461357
[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene
CID 119080873
[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
CID 153439336

Frequently Asked Questions

What is the IUPAC name of 1-chloropentan-2-ylbenzene?
The IUPAC name of 1-chloropentan-2-ylbenzene (CID 524326) is 1-chloropentan-2-ylbenzene.
What is the SMILES notation for 1-chloropentan-2-ylbenzene?
The canonical SMILES for 1-chloropentan-2-ylbenzene is CCCC(CCl)c1ccccc1.
What is the InChIKey of 1-chloropentan-2-ylbenzene?
The InChIKey is OMCKNCCLQJXVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl/c1-2-6-11(9-12)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3.
What are the key properties of 1-chloropentan-2-ylbenzene?
1-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 1-chloropentan-2-ylbenzene is sourced from PubChem (CID 524326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).