1-(1-butan-2-yloxyethyl)-4-methoxybenzene

C13H20O2 — CID 101479468

IUPAC1-(1-butan-2-yloxyethyl)-4-methoxybenzene
SMILESCCC(C)OC(C)c1ccc(OC)cc1
InChIInChI=1S/C13H20O2/c1-5-10(2)15-11(3)12-6-8-13(14-4)9-7-12/h6-11H,5H2,1-4H3
InChIKeyGNJMLGPLHBOCHT-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.57
Rot. Bonds5

About 1-(1-butan-2-yloxyethyl)-4-methoxybenzene

1-(1-butan-2-yloxyethyl)-4-methoxybenzene (PubChem CID 101479468) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(1-butan-2-yloxyethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(1-butan-2-yloxyethyl)-4-methoxybenzene
PubChem CID101479468
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(1-butan-2-yloxyethyl)-4-methoxybenzene
SMILESCCC(C)OC(C)c1ccc(OC)cc1
InChIInChI=1S/C13H20O2/c1-5-10(2)15-11(3)12-6-8-13(14-4)9-7-12/h6-11H,5H2,1-4H3
InChIKeyGNJMLGPLHBOCHT-UHFFFAOYSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
1-[(1S)-1-butoxyethyl]-4-methoxybenzene
CID 102525034
O-[1-(4-methoxyphenyl)ethyl]hydroxylamine
CID 55269080
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
[(1R)-1-(4-methoxyphenyl)propyl]azanium
CID 2496559
1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
CID 139694053
1-(1-azidoethyl)-4-methoxybenzene
CID 13330258
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
CID 81370732
1-[(1S,2R,3S)-1,2-diethyl-3-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 124824625
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-yloxyethyl)-4-methoxybenzene?
The IUPAC name of 1-(1-butan-2-yloxyethyl)-4-methoxybenzene (CID 101479468) is 1-(1-butan-2-yloxyethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(1-butan-2-yloxyethyl)-4-methoxybenzene?
The canonical SMILES for 1-(1-butan-2-yloxyethyl)-4-methoxybenzene is CCC(C)OC(C)c1ccc(OC)cc1.
What is the InChIKey of 1-(1-butan-2-yloxyethyl)-4-methoxybenzene?
The InChIKey is GNJMLGPLHBOCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-10(2)15-11(3)12-6-8-13(14-4)9-7-12/h6-11H,5H2,1-4H3.
What are the key properties of 1-(1-butan-2-yloxyethyl)-4-methoxybenzene?
1-(1-butan-2-yloxyethyl)-4-methoxybenzene has a molecular weight of 208.30 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-yloxyethyl)-4-methoxybenzene is sourced from PubChem (CID 101479468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).