1-(1-chloro-4-methylpentyl)-4-methylbenzene

C13H19Cl — CID 63428910

IUPAC1-(1-chloro-4-methylpentyl)-4-methylbenzene
SMILESCc1ccc(C(Cl)CCC(C)C)cc1
InChIInChI=1S/C13H19Cl/c1-10(2)4-9-13(14)12-7-5-11(3)6-8-12/h5-8,10,13H,4,9H2,1-3H3
InChIKeySSFSSESBOZZGAK-UHFFFAOYSA-N
MW210.75 g/mol
LogP4.71
Rot. Bonds4

About 1-(1-chloro-4-methylpentyl)-4-methylbenzene

1-(1-chloro-4-methylpentyl)-4-methylbenzene (PubChem CID 63428910) has the molecular formula C13H19Cl and a molecular weight of 210.75 g/mol. Its IUPAC name is 1-(1-chloro-4-methylpentyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-chloro-4-methylpentyl)-4-methylbenzene
PubChem CID63428910
Molecular FormulaC13H19Cl
Molecular Weight210.75 g/mol
Exact Mass210.12
IUPAC Name1-(1-chloro-4-methylpentyl)-4-methylbenzene
SMILESCc1ccc(C(Cl)CCC(C)C)cc1
InChIInChI=1S/C13H19Cl/c1-10(2)4-9-13(14)12-7-5-11(3)6-8-12/h5-8,10,13H,4,9H2,1-3H3
InChIKeySSFSSESBOZZGAK-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
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-chloro-4-(4-methylphenyl)butan-1-ol
CID 82366948
1-(1,5-dichloropentyl)-4-methylbenzene
CID 54532884
1-(1,2-dichloroethyl)-4-methylbenzene
CID 587413
1-(1-chloroheptyl)-4-methylbenzene
CID 114753474
4-(1-chloro-4-methylpentyl)-1,2-diethylbenzene
CID 115482880
2-(3-methylbutoxy)-1-(4-methylphenyl)propan-1-amine
CID 43183851
1,1-dichloroethane;1,4-xylene
CID 70558607
(1-chloro-7-methyloctyl)benzene
CID 83169221
2-amino-N-(5-methylhexan-2-yl)-2-(4-methylphenyl)acetamide
CID 106151106
N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619830
CID 143322905
CID 143322905
N'-(2-methoxyethyl)-1-(4-methylphenyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 54986790

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-4-methylpentyl)-4-methylbenzene?
The IUPAC name of 1-(1-chloro-4-methylpentyl)-4-methylbenzene (CID 63428910) is 1-(1-chloro-4-methylpentyl)-4-methylbenzene.
What is the SMILES notation for 1-(1-chloro-4-methylpentyl)-4-methylbenzene?
The canonical SMILES for 1-(1-chloro-4-methylpentyl)-4-methylbenzene is Cc1ccc(C(Cl)CCC(C)C)cc1.
What is the InChIKey of 1-(1-chloro-4-methylpentyl)-4-methylbenzene?
The InChIKey is SSFSSESBOZZGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl/c1-10(2)4-9-13(14)12-7-5-11(3)6-8-12/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of 1-(1-chloro-4-methylpentyl)-4-methylbenzene?
1-(1-chloro-4-methylpentyl)-4-methylbenzene has a molecular weight of 210.75 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-4-methylpentyl)-4-methylbenzene is sourced from PubChem (CID 63428910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).