4-cyclopropyl-2-methoxy-1-methylbenzene;ethane

C13H20O — CID 168942546

IUPAC4-cyclopropyl-2-methoxy-1-methylbenzene;ethane
SMILESCC.COc1cc(C2CC2)ccc1C
InChIInChI=1S/C11H14O.C2H6/c1-8-3-4-10(9-5-6-9)7-11(8)12-2;1-2/h3-4,7,9H,5-6H2,1-2H3;1-2H3
InChIKeyZBZYFMYDOPGVRG-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.91
Rot. Bonds2

About 4-cyclopropyl-2-methoxy-1-methylbenzene;ethane

4-cyclopropyl-2-methoxy-1-methylbenzene;ethane (PubChem CID 168942546) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-cyclopropyl-2-methoxy-1-methylbenzene;ethane.

Molecular Properties

Compound Name4-cyclopropyl-2-methoxy-1-methylbenzene;ethane
PubChem CID168942546
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-cyclopropyl-2-methoxy-1-methylbenzene;ethane
SMILESCC.COc1cc(C2CC2)ccc1C
InChIInChI=1S/C11H14O.C2H6/c1-8-3-4-10(9-5-6-9)7-11(8)12-2;1-2/h3-4,7,9H,5-6H2,1-2H3;1-2H3
InChIKeyZBZYFMYDOPGVRG-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methoxy-1-methylbenzene;ethane?
The IUPAC name of 4-cyclopropyl-2-methoxy-1-methylbenzene;ethane (CID 168942546) is 4-cyclopropyl-2-methoxy-1-methylbenzene;ethane.
What is the SMILES notation for 4-cyclopropyl-2-methoxy-1-methylbenzene;ethane?
The canonical SMILES for 4-cyclopropyl-2-methoxy-1-methylbenzene;ethane is CC.COc1cc(C2CC2)ccc1C.
What is the InChIKey of 4-cyclopropyl-2-methoxy-1-methylbenzene;ethane?
The InChIKey is ZBZYFMYDOPGVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.C2H6/c1-8-3-4-10(9-5-6-9)7-11(8)12-2;1-2/h3-4,7,9H,5-6H2,1-2H3;1-2H3.
What are the key properties of 4-cyclopropyl-2-methoxy-1-methylbenzene;ethane?
4-cyclopropyl-2-methoxy-1-methylbenzene;ethane has a molecular weight of 192.30 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methoxy-1-methylbenzene;ethane is sourced from PubChem (CID 168942546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).