[butan-2-yloxy(ethoxy)methyl]benzene

C13H20O2 — CID 139725310

IUPAC[butan-2-yloxy(ethoxy)methyl]benzene
SMILESCCOC(OC(C)CC)c1ccccc1
InChIInChI=1S/C13H20O2/c1-4-11(3)15-13(14-5-2)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3
InChIKeyXSZOAJAPYNUFGV-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.54
Rot. Bonds6

About [butan-2-yloxy(ethoxy)methyl]benzene

[butan-2-yloxy(ethoxy)methyl]benzene (PubChem CID 139725310) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is [butan-2-yloxy(ethoxy)methyl]benzene.

Molecular Properties

Compound Name[butan-2-yloxy(ethoxy)methyl]benzene
PubChem CID139725310
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name[butan-2-yloxy(ethoxy)methyl]benzene
SMILESCCOC(OC(C)CC)c1ccccc1
InChIInChI=1S/C13H20O2/c1-4-11(3)15-13(14-5-2)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3
InChIKeyXSZOAJAPYNUFGV-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[ethoxy(2-ethoxyethoxy)methyl]benzene
CID 139725273
[ethoxy(phenyl)methoxy]-triethylsilane
CID 139842953
1-[di(butan-2-yloxy)methyl]-3-methylbenzene
CID 23199715
butan-2-yl 2-ethoxy-2-phenylacetate
CID 118039785
(2-ethoxy-1-phenylbutyl)benzene
CID 15499938
2-butan-2-yloxy-N-ethyl-2-phenylethanamine
CID 62108738
(2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine
CID 146564671
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
(1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol
CID 125466229
(2-butan-2-yloxy-1-phenylbutyl) hydrogen carbonate
CID 151200782
[(1R,3R)-1-bromo-3-ethoxy-3-phenylpropyl]benzene
CID 23248017
(1R)-2,2-diethoxy-1-phenylethanol
CID 24856463

Frequently Asked Questions

What is the IUPAC name of [butan-2-yloxy(ethoxy)methyl]benzene?
The IUPAC name of [butan-2-yloxy(ethoxy)methyl]benzene (CID 139725310) is [butan-2-yloxy(ethoxy)methyl]benzene.
What is the SMILES notation for [butan-2-yloxy(ethoxy)methyl]benzene?
The canonical SMILES for [butan-2-yloxy(ethoxy)methyl]benzene is CCOC(OC(C)CC)c1ccccc1.
What is the InChIKey of [butan-2-yloxy(ethoxy)methyl]benzene?
The InChIKey is XSZOAJAPYNUFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-11(3)15-13(14-5-2)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3.
What are the key properties of [butan-2-yloxy(ethoxy)methyl]benzene?
[butan-2-yloxy(ethoxy)methyl]benzene has a molecular weight of 208.30 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butan-2-yloxy(ethoxy)methyl]benzene is sourced from PubChem (CID 139725310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).