2,4-dibutyl-1-chlorobenzene

C14H21Cl — CID 18417644

IUPAC2,4-dibutyl-1-chlorobenzene
SMILESCCCCc1ccc(Cl)c(CCCC)c1
InChIInChI=1S/C14H21Cl/c1-3-5-7-12-9-10-14(15)13(11-12)8-6-4-2/h9-11H,3-8H2,1-2H3
InChIKeyNVHZMCWJJXFMSB-UHFFFAOYSA-N
MW224.77 g/mol
LogP5.03
Rot. Bonds6

About 2,4-dibutyl-1-chlorobenzene

2,4-dibutyl-1-chlorobenzene (PubChem CID 18417644) has the molecular formula C14H21Cl and a molecular weight of 224.77 g/mol. Its IUPAC name is 2,4-dibutyl-1-chlorobenzene.

Molecular Properties

Compound Name2,4-dibutyl-1-chlorobenzene
PubChem CID18417644
Molecular FormulaC14H21Cl
Molecular Weight224.77 g/mol
Exact Mass224.13
IUPAC Name2,4-dibutyl-1-chlorobenzene
SMILESCCCCc1ccc(Cl)c(CCCC)c1
InChIInChI=1S/C14H21Cl/c1-3-5-7-12-9-10-14(15)13(11-12)8-6-4-2/h9-11H,3-8H2,1-2H3
InChIKeyNVHZMCWJJXFMSB-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.77
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-4-butyl-1-chlorobenzene
CID 50997862
4-butyl-1-chloro-2-fluorobenzene
CID 20755408
1-chloro-4-(3-chloropropyl)-2-ethylbenzene
CID 170836970
N-[(5-butyl-2-chlorophenyl)methyl]-N-methylpropanamide
CID 171836451
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
(4-butyl-2-chlorophenyl)methanol
CID 22508825
2,4-dibutyl-N-(2,4-dibutylphenyl)aniline
CID 139628924
4-[4-butyl-3-(4-sulfanylbutyl)phenyl]butane-1-thiol
CID 88742598
tris(2,4-dibutylphenyl) phosphite
CID 10974297
azane;1-butyl-2-chlorobenzene
CID 19011342
4-butyl-2-chlorobenzaldehyde
CID 106659115
1-(4-butyl-2-chlorophenyl)ethanone
CID 106659109

Frequently Asked Questions

What is the IUPAC name of 2,4-dibutyl-1-chlorobenzene?
The IUPAC name of 2,4-dibutyl-1-chlorobenzene (CID 18417644) is 2,4-dibutyl-1-chlorobenzene.
What is the SMILES notation for 2,4-dibutyl-1-chlorobenzene?
The canonical SMILES for 2,4-dibutyl-1-chlorobenzene is CCCCc1ccc(Cl)c(CCCC)c1.
What is the InChIKey of 2,4-dibutyl-1-chlorobenzene?
The InChIKey is NVHZMCWJJXFMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl/c1-3-5-7-12-9-10-14(15)13(11-12)8-6-4-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 2,4-dibutyl-1-chlorobenzene?
2,4-dibutyl-1-chlorobenzene has a molecular weight of 224.77 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutyl-1-chlorobenzene is sourced from PubChem (CID 18417644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).