1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene

C15H23Cl — CID 63430577

IUPAC1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(Cl)CC(C)C)cc1
InChIInChI=1S/C15H23Cl/c1-11(2)9-13-5-7-14(8-6-13)15(16)10-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyAYWKJCUPOIMIOA-UHFFFAOYSA-N
MW238.80 g/mol
LogP5.21
Rot. Bonds5

About 1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene

1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene (PubChem CID 63430577) has the molecular formula C15H23Cl and a molecular weight of 238.80 g/mol. Its IUPAC name is 1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene
PubChem CID63430577
Molecular FormulaC15H23Cl
Molecular Weight238.80 g/mol
Exact Mass238.15
IUPAC Name1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(Cl)CC(C)C)cc1
InChIInChI=1S/C15H23Cl/c1-11(2)9-13-5-7-14(8-6-13)15(16)10-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyAYWKJCUPOIMIOA-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.80
LogP ≤ 55.21
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-chloropropyl)-4-(2-methylpropyl)benzene
CID 11745911
1-butyl-4-(1-chloro-3-methylbutyl)benzene
CID 63431905
4-(1-chloro-3-methylbutyl)phenol
CID 175072121
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1-bromo-3-[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 63430706
2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol
CID 82215609
[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]cycloheptane
CID 114458629
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
trimethyl-[3-methyl-1-[4-(2-methylpropyl)phenyl]butyl]azanium chloride
CID 20563182
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
1-[chloro-(4-methoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431171

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene?
The IUPAC name of 1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene (CID 63430577) is 1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(C(Cl)CC(C)C)cc1.
What is the InChIKey of 1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene?
The InChIKey is AYWKJCUPOIMIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl/c1-11(2)9-13-5-7-14(8-6-13)15(16)10-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3.
What are the key properties of 1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene?
1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene has a molecular weight of 238.80 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-3-methylbutyl)-4-(2-methylpropyl)benzene is sourced from PubChem (CID 63430577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).