[(2R)-4-ethoxybutan-2-yl]benzene

C12H18O — CID 67208388

IUPAC[(2R)-4-ethoxybutan-2-yl]benzene
SMILESCCOCC[C@@H](C)c1ccccc1
InChIInChI=1S/C12H18O/c1-3-13-10-9-11(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3/t11-/m1/s1
InChIKeyTWFUIYAYZBPLHW-LLVKDONJSA-N
MW178.27 g/mol
LogP3.22
Rot. Bonds5

About [(2R)-4-ethoxybutan-2-yl]benzene

[(2R)-4-ethoxybutan-2-yl]benzene (PubChem CID 67208388) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is [(2R)-4-ethoxybutan-2-yl]benzene.

Molecular Properties

Compound Name[(2R)-4-ethoxybutan-2-yl]benzene
PubChem CID67208388
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name[(2R)-4-ethoxybutan-2-yl]benzene
SMILESCCOCC[C@@H](C)c1ccccc1
InChIInChI=1S/C12H18O/c1-3-13-10-9-11(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3/t11-/m1/s1
InChIKeyTWFUIYAYZBPLHW-LLVKDONJSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentan-2-ylbenzene
CID 17627
1-(2-ethoxyethyl)-2-methyl-3-(3-phenylbutyl)guanidine;hydroiodide
CID 111894278
(1-ethoxy-3-methylbutan-2-yl)benzene
CID 67083909
3-ethoxy-1-phenylpropane-1-sulfonic acid
CID 88640689
[(3R)-3-phenylbutyl] acetate
CID 12598598
(1-chloro-5-ethoxypentyl)benzene
CID 64506670
3-phenylbutoxymethanedithioic acid
CID 87458126
4-chlorobutan-2-ylbenzene
CID 570466
(2S)-1-ethoxy-3-[methyl-[(2R)-2-phenylpropyl]amino]propan-2-ol
CID 98764184
1-ethoxy-3-(2-phenylpropylamino)propan-2-ol
CID 113430199
(2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol
CID 95626159
[ethoxy(2-ethoxyethoxy)methyl]benzene
CID 139725273

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-ethoxybutan-2-yl]benzene?
The IUPAC name of [(2R)-4-ethoxybutan-2-yl]benzene (CID 67208388) is [(2R)-4-ethoxybutan-2-yl]benzene.
What is the SMILES notation for [(2R)-4-ethoxybutan-2-yl]benzene?
The canonical SMILES for [(2R)-4-ethoxybutan-2-yl]benzene is CCOCC[C@@H](C)c1ccccc1.
What is the InChIKey of [(2R)-4-ethoxybutan-2-yl]benzene?
The InChIKey is TWFUIYAYZBPLHW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18O/c1-3-13-10-9-11(2)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)-4-ethoxybutan-2-yl]benzene?
[(2R)-4-ethoxybutan-2-yl]benzene has a molecular weight of 178.27 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-ethoxybutan-2-yl]benzene is sourced from PubChem (CID 67208388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).