1-(1-chloropropyl)-4-(2-methylpropyl)benzene

C13H19Cl — CID 11745911

IUPAC1-(1-chloropropyl)-4-(2-methylpropyl)benzene
SMILESCCC(Cl)c1ccc(CC(C)C)cc1
InChIInChI=1S/C13H19Cl/c1-4-13(14)12-7-5-11(6-8-12)9-10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyYNWKDBQGELCAPW-UHFFFAOYSA-N
MW210.75 g/mol
LogP4.57
Rot. Bonds4

About 1-(1-chloropropyl)-4-(2-methylpropyl)benzene

1-(1-chloropropyl)-4-(2-methylpropyl)benzene (PubChem CID 11745911) has the molecular formula C13H19Cl and a molecular weight of 210.75 g/mol. Its IUPAC name is 1-(1-chloropropyl)-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(1-chloropropyl)-4-(2-methylpropyl)benzene
PubChem CID11745911
Molecular FormulaC13H19Cl
Molecular Weight210.75 g/mol
Exact Mass210.12
IUPAC Name1-(1-chloropropyl)-4-(2-methylpropyl)benzene
SMILESCCC(Cl)c1ccc(CC(C)C)cc1
InChIInChI=1S/C13H19Cl/c1-4-13(14)12-7-5-11(6-8-12)9-10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyYNWKDBQGELCAPW-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
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-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene
CID 63430577
1-(1-chloropropyl)-4-propylbenzene
CID 63432383
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol
CID 82215609
[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]cycloheptane
CID 114458629
1-bromo-4-(1-chloropropyl)benzene
CID 43114960
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
1-bromo-3-[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 63430706
1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431022
1-(1-chloroethyl)-4-(2-methylpropyl)benzene;1-[4-(2-methylpropyl)phenyl]ethanol;hydrochloride
CID 159111103
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
3-ethyl-1-[4-(2-methylpropyl)phenyl]pentan-1-ol
CID 82928091

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloropropyl)-4-(2-methylpropyl)benzene?
The IUPAC name of 1-(1-chloropropyl)-4-(2-methylpropyl)benzene (CID 11745911) is 1-(1-chloropropyl)-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(1-chloropropyl)-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-(1-chloropropyl)-4-(2-methylpropyl)benzene is CCC(Cl)c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-(1-chloropropyl)-4-(2-methylpropyl)benzene?
The InChIKey is YNWKDBQGELCAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl/c1-4-13(14)12-7-5-11(6-8-12)9-10(2)3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of 1-(1-chloropropyl)-4-(2-methylpropyl)benzene?
1-(1-chloropropyl)-4-(2-methylpropyl)benzene has a molecular weight of 210.75 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloropropyl)-4-(2-methylpropyl)benzene is sourced from PubChem (CID 11745911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).