1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene

C17H25Cl — CID 83149462

IUPAC1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(C(Cl)C(C)C2CC2)cc1
InChIInChI=1S/C17H25Cl/c1-5-17(3,4)15-10-8-14(9-11-15)16(18)12(2)13-6-7-13/h8-13,16H,5-7H2,1-4H3
InChIKeyFQODPYTVQVGEDB-UHFFFAOYSA-N
MW264.84 g/mol
LogP5.70
Rot. Bonds5

About 1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene

1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene (PubChem CID 83149462) has the molecular formula C17H25Cl and a molecular weight of 264.84 g/mol. Its IUPAC name is 1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene
PubChem CID83149462
Molecular FormulaC17H25Cl
Molecular Weight264.84 g/mol
Exact Mass264.16
IUPAC Name1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(C(Cl)C(C)C2CC2)cc1
InChIInChI=1S/C17H25Cl/c1-5-17(3,4)15-10-8-14(9-11-15)16(18)12(2)13-6-7-13/h8-13,16H,5-7H2,1-4H3
InChIKeyFQODPYTVQVGEDB-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.84
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene (CID 83149462) is 1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene is CCC(C)(C)c1ccc(C(Cl)C(C)C2CC2)cc1.
What is the InChIKey of 1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene?
The InChIKey is FQODPYTVQVGEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl/c1-5-17(3,4)15-10-8-14(9-11-15)16(18)12(2)13-6-7-13/h8-13,16H,5-7H2,1-4H3.
What are the key properties of 1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene?
1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene has a molecular weight of 264.84 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-cyclopropylpropyl)-4-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 83149462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).