1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene

C13H20O3 — CID 141365306

IUPAC1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
SMILESCOc1cccc(OCCOC(C)(C)C)c1
InChIInChI=1S/C13H20O3/c1-13(2,3)16-9-8-15-12-7-5-6-11(10-12)14-4/h5-7,10H,8-9H2,1-4H3
InChIKeyYUTIUMCZMRKQTC-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.89
Rot. Bonds5

About 1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene

1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene (PubChem CID 141365306) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene.

Molecular Properties

Compound Name1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
PubChem CID141365306
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
SMILESCOc1cccc(OCCOC(C)(C)C)c1
InChIInChI=1S/C13H20O3/c1-13(2,3)16-9-8-15-12-7-5-6-11(10-12)14-4/h5-7,10H,8-9H2,1-4H3
InChIKeyYUTIUMCZMRKQTC-UHFFFAOYSA-N
XLogP2.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587902
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591169
1-methoxy-3-(2-methylsulfanylethoxy)benzene
CID 103601143
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
1-(2,2-dimethylbutoxy)-3-[2-[3-(2,2-dimethylbutoxy)phenoxy]ethoxy]benzene
CID 20738671
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
CID 43366160
3-[4-[2-(3-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20987008
1-(3-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
CID 112588838
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913
(3-methoxyphenoxy)methanol
CID 10442564
1-(chloromethoxy)-3-methoxybenzene
CID 59086252

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene?
The IUPAC name of 1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene (CID 141365306) is 1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene.
What is the SMILES notation for 1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene?
The canonical SMILES for 1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene is COc1cccc(OCCOC(C)(C)C)c1.
What is the InChIKey of 1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene?
The InChIKey is YUTIUMCZMRKQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-13(2,3)16-9-8-15-12-7-5-6-11(10-12)14-4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene?
1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene has a molecular weight of 224.30 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene is sourced from PubChem (CID 141365306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).