2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene

C16H15Cl — CID 91376879

IUPAC2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene
SMILESCc1ccc(C2CC2)c(-c2ccccc2Cl)c1
InChIInChI=1S/C16H15Cl/c1-11-6-9-13(12-7-8-12)15(10-11)14-4-2-3-5-16(14)17/h2-6,9-10,12H,7-8H2,1H3
InChIKeyITOLXPXZWHETBV-UHFFFAOYSA-N
MW242.75 g/mol
LogP5.19
Rot. Bonds2

About 2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene

2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene (PubChem CID 91376879) has the molecular formula C16H15Cl and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene
PubChem CID91376879
Molecular FormulaC16H15Cl
Molecular Weight242.75 g/mol
Exact Mass242.09
IUPAC Name2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene
SMILESCc1ccc(C2CC2)c(-c2ccccc2Cl)c1
InChIInChI=1S/C16H15Cl/c1-11-6-9-13(12-7-8-12)15(10-11)14-4-2-3-5-16(14)17/h2-6,9-10,12H,7-8H2,1H3
InChIKeyITOLXPXZWHETBV-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.75
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene?
The IUPAC name of 2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene (CID 91376879) is 2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene.
What is the SMILES notation for 2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene?
The canonical SMILES for 2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene is Cc1ccc(C2CC2)c(-c2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene?
The InChIKey is ITOLXPXZWHETBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl/c1-11-6-9-13(12-7-8-12)15(10-11)14-4-2-3-5-16(14)17/h2-6,9-10,12H,7-8H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene?
2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene has a molecular weight of 242.75 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-cyclopropyl-4-methylbenzene is sourced from PubChem (CID 91376879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).