1-propan-2-yloxyethylbenzene

C11H16O — CID 15584172

IUPAC1-propan-2-yloxyethylbenzene
SMILESCC(C)OC(C)c1ccccc1
InChIInChI=1S/C11H16O/c1-9(2)12-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyKLOUCDOOJZGJFJ-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.17
Rot. Bonds3

About 1-propan-2-yloxyethylbenzene

1-propan-2-yloxyethylbenzene (PubChem CID 15584172) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-propan-2-yloxyethylbenzene.

Molecular Properties

Compound Name1-propan-2-yloxyethylbenzene
PubChem CID15584172
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-propan-2-yloxyethylbenzene
SMILESCC(C)OC(C)c1ccccc1
InChIInChI=1S/C11H16O/c1-9(2)12-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyKLOUCDOOJZGJFJ-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-propan-2-yloxyethylbenzene 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-propan-2-yloxyethylbenzene?
The IUPAC name of 1-propan-2-yloxyethylbenzene (CID 15584172) is 1-propan-2-yloxyethylbenzene.
What is the SMILES notation for 1-propan-2-yloxyethylbenzene?
The canonical SMILES for 1-propan-2-yloxyethylbenzene is CC(C)OC(C)c1ccccc1.
What is the InChIKey of 1-propan-2-yloxyethylbenzene?
The InChIKey is KLOUCDOOJZGJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-9(2)12-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 1-propan-2-yloxyethylbenzene?
1-propan-2-yloxyethylbenzene has a molecular weight of 164.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxyethylbenzene is sourced from PubChem (CID 15584172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).