3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene

C16H23Cl — CID 83148455

IUPAC3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C(Cl)C(C)C2CC2)c1C
InChIInChI=1S/C16H23Cl/c1-9-8-10(2)12(4)15(11(9)3)16(17)13(5)14-6-7-14/h8,13-14,16H,6-7H2,1-5H3
InChIKeyGKZNCYOKJMKPDX-UHFFFAOYSA-N
MW250.81 g/mol
LogP5.25
Rot. Bonds3

About 3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene

3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene (PubChem CID 83148455) has the molecular formula C16H23Cl and a molecular weight of 250.81 g/mol. Its IUPAC name is 3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene
PubChem CID83148455
Molecular FormulaC16H23Cl
Molecular Weight250.81 g/mol
Exact Mass250.15
IUPAC Name3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C(Cl)C(C)C2CC2)c1C
InChIInChI=1S/C16H23Cl/c1-9-8-10(2)12(4)15(11(9)3)16(17)13(5)14-6-7-14/h8,13-14,16H,6-7H2,1-5H3
InChIKeyGKZNCYOKJMKPDX-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.81
LogP ≤ 55.25
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

cyclopentyl-(2,3,5,6-tetramethylphenyl)methanamine
CID 43110265
3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene
CID 82093929
3-bromo-2-(1-chloro-2-cyclopropylpropyl)-5-methylthiophene
CID 83148973
2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
CID 82296030
2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990610
2-cyclopropyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 83154874
N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 63508117
4-(1-chloro-2-cyclopropylpropyl)-1,2-diethylbenzene
CID 83148211
3-(1-chloro-3-methylpentyl)-1,2,4,5-tetramethylbenzene
CID 114876027
3-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,4,5-tetramethylbenzene
CID 63433601
2-chloro-2-(2,3,5,6-tetramethylphenyl)acetonitrile
CID 134893755
ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene
CID 90692106

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene (CID 83148455) is 3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene is Cc1cc(C)c(C)c(C(Cl)C(C)C2CC2)c1C.
What is the InChIKey of 3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene?
The InChIKey is GKZNCYOKJMKPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl/c1-9-8-10(2)12(4)15(11(9)3)16(17)13(5)14-6-7-14/h8,13-14,16H,6-7H2,1-5H3.
What are the key properties of 3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene?
3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene has a molecular weight of 250.81 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloro-2-cyclopropylpropyl)-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 83148455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).