tris(1-methoxy-2-methylbenzene);propane

C30H46O3 — CID 158759517

IUPACtris(1-methoxy-2-methylbenzene);propane
SMILESCCC.CCC.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C
InChIInChI=1S/3C8H10O.2C3H8/c3*1-7-5-3-4-6-8(7)9-2;2*1-3-2/h3*3-6H,1-2H3;2*3H2,1-2H3
InChIKeyIOMGPWLFSFKZHY-UHFFFAOYSA-N
MW454.70 g/mol
LogP8.84
Rot. Bonds3

About tris(1-methoxy-2-methylbenzene);propane

tris(1-methoxy-2-methylbenzene);propane (PubChem CID 158759517) has the molecular formula C30H46O3 and a molecular weight of 454.70 g/mol. Its IUPAC name is tris(1-methoxy-2-methylbenzene);propane.

Molecular Properties

Compound Nametris(1-methoxy-2-methylbenzene);propane
PubChem CID158759517
Molecular FormulaC30H46O3
Molecular Weight454.70 g/mol
Exact Mass454.34
IUPAC Nametris(1-methoxy-2-methylbenzene);propane
SMILESCCC.CCC.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C
InChIInChI=1S/3C8H10O.2C3H8/c3*1-7-5-3-4-6-8(7)9-2;2*1-3-2/h3*3-6H,1-2H3;2*3H2,1-2H3
InChIKeyIOMGPWLFSFKZHY-UHFFFAOYSA-N
XLogP8.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.70
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(1-methoxy-2-methylbenzene);propane?
The IUPAC name of tris(1-methoxy-2-methylbenzene);propane (CID 158759517) is tris(1-methoxy-2-methylbenzene);propane.
What is the SMILES notation for tris(1-methoxy-2-methylbenzene);propane?
The canonical SMILES for tris(1-methoxy-2-methylbenzene);propane is CCC.CCC.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.
What is the InChIKey of tris(1-methoxy-2-methylbenzene);propane?
The InChIKey is IOMGPWLFSFKZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H10O.2C3H8/c3*1-7-5-3-4-6-8(7)9-2;2*1-3-2/h3*3-6H,1-2H3;2*3H2,1-2H3.
What are the key properties of tris(1-methoxy-2-methylbenzene);propane?
tris(1-methoxy-2-methylbenzene);propane has a molecular weight of 454.70 g/mol, XLogP of 8.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-methoxy-2-methylbenzene);propane is sourced from PubChem (CID 158759517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).