1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene

C15H22 — CID 10798169

IUPAC1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene
SMILESCCCC[C@@H]1C[C@H]1Cc1ccc(C)cc1
InChIInChI=1S/C15H22/c1-3-4-5-14-11-15(14)10-13-8-6-12(2)7-9-13/h6-9,14-15H,3-5,10-11H2,1-2H3/t14-,15-/m1/s1
InChIKeyWFSAMKJCVOKDAT-HUUCEWRRSA-N
MW202.34 g/mol
LogP4.36
Rot. Bonds5

About 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene

1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene (PubChem CID 10798169) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene
PubChem CID10798169
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene
SMILESCCCC[C@@H]1C[C@H]1Cc1ccc(C)cc1
InChIInChI=1S/C15H22/c1-3-4-5-14-11-15(14)10-13-8-6-12(2)7-9-13/h6-9,14-15H,3-5,10-11H2,1-2H3/t14-,15-/m1/s1
InChIKeyWFSAMKJCVOKDAT-HUUCEWRRSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene?
The IUPAC name of 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene (CID 10798169) is 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene.
What is the SMILES notation for 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene?
The canonical SMILES for 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene is CCCC[C@@H]1C[C@H]1Cc1ccc(C)cc1.
What is the InChIKey of 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene?
The InChIKey is WFSAMKJCVOKDAT-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H22/c1-3-4-5-14-11-15(14)10-13-8-6-12(2)7-9-13/h6-9,14-15H,3-5,10-11H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene?
1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2R)-2-butylcyclopropyl]methyl]-4-methylbenzene is sourced from PubChem (CID 10798169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).