1-(2-butoxyethoxy)-4-methylbenzene

C13H20O2 — CID 64765824

IUPAC1-(2-butoxyethoxy)-4-methylbenzene
SMILESCCCCOCCOc1ccc(C)cc1
InChIInChI=1S/C13H20O2/c1-3-4-9-14-10-11-15-13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChIKeyICVSPBXZRAAZGE-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.19
Rot. Bonds7

About 1-(2-butoxyethoxy)-4-methylbenzene

1-(2-butoxyethoxy)-4-methylbenzene (PubChem CID 64765824) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-4-methylbenzene
PubChem CID64765824
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(2-butoxyethoxy)-4-methylbenzene
SMILESCCCCOCCOc1ccc(C)cc1
InChIInChI=1S/C13H20O2/c1-3-4-9-14-10-11-15-13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChIKeyICVSPBXZRAAZGE-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-(2-butoxyethoxy)-4-iodobenzene
CID 25259264
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188
4-(2-pentoxyethoxy)aniline
CID 43274923
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
4-[2-(2-butoxyethoxy)ethoxy]benzonitrile
CID 43289691
1-(2-butoxyethoxy)-4-(chloromethyl)benzene
CID 29003978
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-4-methylbenzene?
The IUPAC name of 1-(2-butoxyethoxy)-4-methylbenzene (CID 64765824) is 1-(2-butoxyethoxy)-4-methylbenzene.
What is the SMILES notation for 1-(2-butoxyethoxy)-4-methylbenzene?
The canonical SMILES for 1-(2-butoxyethoxy)-4-methylbenzene is CCCCOCCOc1ccc(C)cc1.
What is the InChIKey of 1-(2-butoxyethoxy)-4-methylbenzene?
The InChIKey is ICVSPBXZRAAZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-4-9-14-10-11-15-13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(2-butoxyethoxy)-4-methylbenzene?
1-(2-butoxyethoxy)-4-methylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-4-methylbenzene is sourced from PubChem (CID 64765824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).