1-(1-chloropentyl)-2,4-dimethylbenzene

C13H19Cl — CID 63430265

IUPAC1-(1-chloropentyl)-2,4-dimethylbenzene
SMILESCCCCC(Cl)c1ccc(C)cc1C
InChIInChI=1S/C13H19Cl/c1-4-5-6-13(14)12-8-7-10(2)9-11(12)3/h7-9,13H,4-6H2,1-3H3
InChIKeyCHRWPMUFRCZTIL-UHFFFAOYSA-N
MW210.75 g/mol
LogP4.77
Rot. Bonds4

About 1-(1-chloropentyl)-2,4-dimethylbenzene

1-(1-chloropentyl)-2,4-dimethylbenzene (PubChem CID 63430265) has the molecular formula C13H19Cl and a molecular weight of 210.75 g/mol. Its IUPAC name is 1-(1-chloropentyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(1-chloropentyl)-2,4-dimethylbenzene
PubChem CID63430265
Molecular FormulaC13H19Cl
Molecular Weight210.75 g/mol
Exact Mass210.12
IUPAC Name1-(1-chloropentyl)-2,4-dimethylbenzene
SMILESCCCCC(Cl)c1ccc(C)cc1C
InChIInChI=1S/C13H19Cl/c1-4-5-6-13(14)12-8-7-10(2)9-11(12)3/h7-9,13H,4-6H2,1-3H3
InChIKeyCHRWPMUFRCZTIL-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.75
LogP ≤ 54.77
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

2,4-dimethyl-1-undecan-5-ylbenzene
CID 123380808
2-(1-chloropentyl)-1,3,5-trimethylbenzene
CID 63431372
1-(1-chlorooctyl)-4-methoxy-2-methylbenzene
CID 63429941
2-(2,4-dimethylphenyl)hexanoic acid
CID 69334667
1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118
1-(1-chloro-3,3-dimethylbutyl)-2,4-dimethylbenzene
CID 63430059
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 63430271
N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine
CID 106023750
2-(1-chlorodecyl)-1-methoxy-4-methylbenzene
CID 65428310
1,4-dibromo-2-(1-chloropentyl)-5-methylbenzene
CID 81473878
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
CID 43495501

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloropentyl)-2,4-dimethylbenzene?
The IUPAC name of 1-(1-chloropentyl)-2,4-dimethylbenzene (CID 63430265) is 1-(1-chloropentyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(1-chloropentyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(1-chloropentyl)-2,4-dimethylbenzene is CCCCC(Cl)c1ccc(C)cc1C.
What is the InChIKey of 1-(1-chloropentyl)-2,4-dimethylbenzene?
The InChIKey is CHRWPMUFRCZTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl/c1-4-5-6-13(14)12-8-7-10(2)9-11(12)3/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 1-(1-chloropentyl)-2,4-dimethylbenzene?
1-(1-chloropentyl)-2,4-dimethylbenzene has a molecular weight of 210.75 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloropentyl)-2,4-dimethylbenzene is sourced from PubChem (CID 63430265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).