1-(1-chloro-2-methylpentyl)-4-ethylbenzene

C14H21Cl — CID 63431673

IUPAC1-(1-chloro-2-methylpentyl)-4-ethylbenzene
SMILESCCCC(C)C(Cl)c1ccc(CC)cc1
InChIInChI=1S/C14H21Cl/c1-4-6-11(3)14(15)13-9-7-12(5-2)8-10-13/h7-11,14H,4-6H2,1-3H3
InChIKeyKHZUVMATDREBBY-UHFFFAOYSA-N
MW224.78 g/mol
LogP4.97
Rot. Bonds5

About 1-(1-chloro-2-methylpentyl)-4-ethylbenzene

1-(1-chloro-2-methylpentyl)-4-ethylbenzene (PubChem CID 63431673) has the molecular formula C14H21Cl and a molecular weight of 224.78 g/mol. Its IUPAC name is 1-(1-chloro-2-methylpentyl)-4-ethylbenzene.

Molecular Properties

Compound Name1-(1-chloro-2-methylpentyl)-4-ethylbenzene
PubChem CID63431673
Molecular FormulaC14H21Cl
Molecular Weight224.78 g/mol
Exact Mass224.13
IUPAC Name1-(1-chloro-2-methylpentyl)-4-ethylbenzene
SMILESCCCC(C)C(Cl)c1ccc(CC)cc1
InChIInChI=1S/C14H21Cl/c1-4-6-11(3)14(15)13-9-7-12(5-2)8-10-13/h7-11,14H,4-6H2,1-3H3
InChIKeyKHZUVMATDREBBY-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.78
LogP ≤ 54.97
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-chloro-4-(1-chloro-2-methylpentyl)benzene
CID 63429099
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
chloro-(4-ethylphenyl)methanamine
CID 116947710
4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene
CID 63434238
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
2-(1-chloro-2-methylpentyl)-5-ethylthiophene
CID 63431274
[chloro-(4-ethylphenyl)methyl]-trimethylsilane
CID 171781017
1-butan-2-yl-4-(1-chloro-2-methylbutyl)benzene
CID 63430333
4-(4-ethylphenyl)-3-methylpentan-1-amine
CID 83922583
(1-chloro-2-methyl-4-phenylbutyl)benzene
CID 86095449
2-(1-chloro-2-propylpentyl)-1,4-diethylbenzene
CID 82987639

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-methylpentyl)-4-ethylbenzene?
The IUPAC name of 1-(1-chloro-2-methylpentyl)-4-ethylbenzene (CID 63431673) is 1-(1-chloro-2-methylpentyl)-4-ethylbenzene.
What is the SMILES notation for 1-(1-chloro-2-methylpentyl)-4-ethylbenzene?
The canonical SMILES for 1-(1-chloro-2-methylpentyl)-4-ethylbenzene is CCCC(C)C(Cl)c1ccc(CC)cc1.
What is the InChIKey of 1-(1-chloro-2-methylpentyl)-4-ethylbenzene?
The InChIKey is KHZUVMATDREBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl/c1-4-6-11(3)14(15)13-9-7-12(5-2)8-10-13/h7-11,14H,4-6H2,1-3H3.
What are the key properties of 1-(1-chloro-2-methylpentyl)-4-ethylbenzene?
1-(1-chloro-2-methylpentyl)-4-ethylbenzene has a molecular weight of 224.78 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-methylpentyl)-4-ethylbenzene is sourced from PubChem (CID 63431673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).