2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene

C16H24O — CID 169265233

IUPAC2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(OC(C)(C)C)cc1C1CC1
InChIInChI=1S/C16H24O/c1-11(2)14-9-8-13(17-16(3,4)5)10-15(14)12-6-7-12/h8-12H,6-7H2,1-5H3
InChIKeyCRRNNWBEVSMGMG-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.86
Rot. Bonds3

About 2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene

2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene (PubChem CID 169265233) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene
PubChem CID169265233
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(OC(C)(C)C)cc1C1CC1
InChIInChI=1S/C16H24O/c1-11(2)14-9-8-13(17-16(3,4)5)10-15(14)12-6-7-12/h8-12H,6-7H2,1-5H3
InChIKeyCRRNNWBEVSMGMG-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene?
The IUPAC name of 2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene (CID 169265233) is 2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene.
What is the SMILES notation for 2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene?
The canonical SMILES for 2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene is CC(C)c1ccc(OC(C)(C)C)cc1C1CC1.
What is the InChIKey of 2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene?
The InChIKey is CRRNNWBEVSMGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-11(2)14-9-8-13(17-16(3,4)5)10-15(14)12-6-7-12/h8-12H,6-7H2,1-5H3.
What are the key properties of 2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene?
2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene has a molecular weight of 232.37 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene is sourced from PubChem (CID 169265233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).