1-chloro-4-[2-(2-methylbutyl)phenyl]benzene

C17H19Cl — CID 143786749

IUPAC1-chloro-4-[2-(2-methylbutyl)phenyl]benzene
SMILESCCC(C)Cc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl/c1-3-13(2)12-15-6-4-5-7-17(15)14-8-10-16(18)11-9-14/h4-11,13H,3,12H2,1-2H3
InChIKeyHHPJGXFCBAXZFI-UHFFFAOYSA-N
MW258.79 g/mol
LogP5.60
Rot. Bonds4

About 1-chloro-4-[2-(2-methylbutyl)phenyl]benzene

1-chloro-4-[2-(2-methylbutyl)phenyl]benzene (PubChem CID 143786749) has the molecular formula C17H19Cl and a molecular weight of 258.79 g/mol. Its IUPAC name is 1-chloro-4-[2-(2-methylbutyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-(2-methylbutyl)phenyl]benzene
PubChem CID143786749
Molecular FormulaC17H19Cl
Molecular Weight258.79 g/mol
Exact Mass258.12
IUPAC Name1-chloro-4-[2-(2-methylbutyl)phenyl]benzene
SMILESCCC(C)Cc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl/c1-3-13(2)12-15-6-4-5-7-17(15)14-8-10-16(18)11-9-14/h4-11,13H,3,12H2,1-2H3
InChIKeyHHPJGXFCBAXZFI-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.79
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(2-methylbutyl)phenyl]benzene?
The IUPAC name of 1-chloro-4-[2-(2-methylbutyl)phenyl]benzene (CID 143786749) is 1-chloro-4-[2-(2-methylbutyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-4-[2-(2-methylbutyl)phenyl]benzene?
The canonical SMILES for 1-chloro-4-[2-(2-methylbutyl)phenyl]benzene is CCC(C)Cc1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[2-(2-methylbutyl)phenyl]benzene?
The InChIKey is HHPJGXFCBAXZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl/c1-3-13(2)12-15-6-4-5-7-17(15)14-8-10-16(18)11-9-14/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 1-chloro-4-[2-(2-methylbutyl)phenyl]benzene?
1-chloro-4-[2-(2-methylbutyl)phenyl]benzene has a molecular weight of 258.79 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(2-methylbutyl)phenyl]benzene is sourced from PubChem (CID 143786749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).