[(2R)-2-methylbutoxy]methylbenzene

C12H18O — CID 59612647

IUPAC[(2R)-2-methylbutoxy]methylbenzene
SMILESCC[C@@H](C)COCc1ccccc1
InChIInChI=1S/C12H18O/c1-3-11(2)9-13-10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3/t11-/m1/s1
InChIKeyYOANEDOLERYMCY-LLVKDONJSA-N
MW178.28 g/mol
LogP3.25
Rot. Bonds5

About [(2R)-2-methylbutoxy]methylbenzene

[(2R)-2-methylbutoxy]methylbenzene (PubChem CID 59612647) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is [(2R)-2-methylbutoxy]methylbenzene.

Molecular Properties

Compound Name[(2R)-2-methylbutoxy]methylbenzene
PubChem CID59612647
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name[(2R)-2-methylbutoxy]methylbenzene
SMILESCC[C@@H](C)COCc1ccccc1
InChIInChI=1S/C12H18O/c1-3-11(2)9-13-10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3/t11-/m1/s1
InChIKeyYOANEDOLERYMCY-LLVKDONJSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylbutoxy]methylbenzene?
The IUPAC name of [(2R)-2-methylbutoxy]methylbenzene (CID 59612647) is [(2R)-2-methylbutoxy]methylbenzene.
What is the SMILES notation for [(2R)-2-methylbutoxy]methylbenzene?
The canonical SMILES for [(2R)-2-methylbutoxy]methylbenzene is CC[C@@H](C)COCc1ccccc1.
What is the InChIKey of [(2R)-2-methylbutoxy]methylbenzene?
The InChIKey is YOANEDOLERYMCY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18O/c1-3-11(2)9-13-10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of [(2R)-2-methylbutoxy]methylbenzene?
[(2R)-2-methylbutoxy]methylbenzene has a molecular weight of 178.28 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylbutoxy]methylbenzene is sourced from PubChem (CID 59612647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).