1-(1-butoxyethoxy)-4-methylbenzene

C13H20O2 — CID 91451977

IUPAC1-(1-butoxyethoxy)-4-methylbenzene
SMILESCCCCOC(C)Oc1ccc(C)cc1
InChIInChI=1S/C13H20O2/c1-4-5-10-14-12(3)15-13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3
InChIKeyYVPAYLCAVKXFBF-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.54
Rot. Bonds6

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

1-(1-butoxyethoxy)-4-methylbenzene (PubChem CID 91451977) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(1-butoxyethoxy)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-butoxyethoxy)-4-methylbenzene
PubChem CID91451977
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(1-butoxyethoxy)-4-methylbenzene
SMILESCCCCOC(C)Oc1ccc(C)cc1
InChIInChI=1S/C13H20O2/c1-4-5-10-14-12(3)15-13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3
InChIKeyYVPAYLCAVKXFBF-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256
1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 146697935
1-butan-2-yl-4-[1-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 90919923
1-butan-2-yl-4-[1-[7-[1-(4-butan-2-ylphenoxy)ethoxy]heptoxy]ethoxy]benzene
CID 59687778
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
1-butan-2-yl-4-[1-(2-pentadecoxyethoxy)ethoxy]benzene
CID 58037077
[4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate
CID 19782944
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
1-hexoxyethyl (4-methylphenyl) phenyl phosphate
CID 126569405
1-(diethoxymethoxy)-4-methylbenzene
CID 86206447

Frequently Asked Questions

What is the IUPAC name of 1-(1-butoxyethoxy)-4-methylbenzene?
The IUPAC name of 1-(1-butoxyethoxy)-4-methylbenzene (CID 91451977) is 1-(1-butoxyethoxy)-4-methylbenzene.
What is the SMILES notation for 1-(1-butoxyethoxy)-4-methylbenzene?
The canonical SMILES for 1-(1-butoxyethoxy)-4-methylbenzene is CCCCOC(C)Oc1ccc(C)cc1.
What is the InChIKey of 1-(1-butoxyethoxy)-4-methylbenzene?
The InChIKey is YVPAYLCAVKXFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-5-10-14-12(3)15-13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3.
What are the key properties of 1-(1-butoxyethoxy)-4-methylbenzene?
1-(1-butoxyethoxy)-4-methylbenzene 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 1-(1-butoxyethoxy)-4-methylbenzene is sourced from PubChem (CID 91451977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).