1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene

C13H20O2 — CID 20768954

IUPAC1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
SMILESCOc1ccc(CCOC(C)(C)C)cc1
InChIInChI=1S/C13H20O2/c1-13(2,3)15-10-9-11-5-7-12(14-4)8-6-11/h5-8H,9-10H2,1-4H3
InChIKeyJDXFJDVLCIVUGO-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.05
Rot. Bonds4

About 1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene

1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene (PubChem CID 20768954) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
PubChem CID20768954
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
SMILESCOc1ccc(CCOC(C)(C)C)cc1
InChIInChI=1S/C13H20O2/c1-13(2,3)15-10-9-11-5-7-12(14-4)8-6-11/h5-8H,9-10H2,1-4H3
InChIKeyJDXFJDVLCIVUGO-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
The IUPAC name of 1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene (CID 20768954) is 1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
The canonical SMILES for 1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene is COc1ccc(CCOC(C)(C)C)cc1.
What is the InChIKey of 1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
The InChIKey is JDXFJDVLCIVUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-13(2,3)15-10-9-11-5-7-12(14-4)8-6-11/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene?
1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene has a molecular weight of 208.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene is sourced from PubChem (CID 20768954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).