4-tert-butyl-1-chloro-2-cyclopropylbenzene

C13H17Cl — CID 122594497

IUPAC4-tert-butyl-1-chloro-2-cyclopropylbenzene
SMILESCC(C)(C)c1ccc(Cl)c(C2CC2)c1
InChIInChI=1S/C13H17Cl/c1-13(2,3)10-6-7-12(14)11(8-10)9-4-5-9/h6-9H,4-5H2,1-3H3
InChIKeyOZPKBYFFLYBRGC-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.51
Rot. Bonds1

About 4-tert-butyl-1-chloro-2-cyclopropylbenzene

4-tert-butyl-1-chloro-2-cyclopropylbenzene (PubChem CID 122594497) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 4-tert-butyl-1-chloro-2-cyclopropylbenzene.

Molecular Properties

Compound Name4-tert-butyl-1-chloro-2-cyclopropylbenzene
PubChem CID122594497
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name4-tert-butyl-1-chloro-2-cyclopropylbenzene
SMILESCC(C)(C)c1ccc(Cl)c(C2CC2)c1
InChIInChI=1S/C13H17Cl/c1-13(2,3)10-6-7-12(14)11(8-10)9-4-5-9/h6-9H,4-5H2,1-3H3
InChIKeyOZPKBYFFLYBRGC-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 68785250
N,4-ditert-butyl-2-cyclopropylaniline
CID 130287728
bis(4-tert-butyl-2-cyclopropylphenyl)methanone
CID 140968414
4-(5-tert-butyl-2-methylphenyl)cyclohexan-1-ol
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4-tert-butyl-2-cyclohexylphenol;methane
CID 174535578
1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene
CID 19787051
4-tert-butyl-11-methyl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 130466941
4-tert-butyl-2-(4-tert-butylphenyl)-1-chlorobenzene
CID 176593095
4-(4-chloro-3-cyclobutylphenyl)cyclohexan-1-ol
CID 142617777
1-tert-butyl-5-chloro-2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 176750567
2-[3-chloro-4-(thiolan-3-yl)phenyl]propan-2-amine
CID 117393100
5-tert-butyl-2-chlorobenzaldehyde
CID 50997855

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-chloro-2-cyclopropylbenzene?
The IUPAC name of 4-tert-butyl-1-chloro-2-cyclopropylbenzene (CID 122594497) is 4-tert-butyl-1-chloro-2-cyclopropylbenzene.
What is the SMILES notation for 4-tert-butyl-1-chloro-2-cyclopropylbenzene?
The canonical SMILES for 4-tert-butyl-1-chloro-2-cyclopropylbenzene is CC(C)(C)c1ccc(Cl)c(C2CC2)c1.
What is the InChIKey of 4-tert-butyl-1-chloro-2-cyclopropylbenzene?
The InChIKey is OZPKBYFFLYBRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c1-13(2,3)10-6-7-12(14)11(8-10)9-4-5-9/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-tert-butyl-1-chloro-2-cyclopropylbenzene?
4-tert-butyl-1-chloro-2-cyclopropylbenzene has a molecular weight of 208.73 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-chloro-2-cyclopropylbenzene is sourced from PubChem (CID 122594497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).