2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene

C19H22O — CID 143844971

IUPAC2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene
SMILESC=C(Oc1ccc(C(C)C)cc1C)c1cccc(C)c1
InChIInChI=1S/C19H22O/c1-13(2)17-9-10-19(15(4)12-17)20-16(5)18-8-6-7-14(3)11-18/h6-13H,5H2,1-4H3
InChIKeyJBURVZWGIAEGLY-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.48
Rot. Bonds4

About 2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene

2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene (PubChem CID 143844971) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene
PubChem CID143844971
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene
SMILESC=C(Oc1ccc(C(C)C)cc1C)c1cccc(C)c1
InChIInChI=1S/C19H22O/c1-13(2)17-9-10-19(15(4)12-17)20-16(5)18-8-6-7-14(3)11-18/h6-13H,5H2,1-4H3
InChIKeyJBURVZWGIAEGLY-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene?
The IUPAC name of 2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene (CID 143844971) is 2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene.
What is the SMILES notation for 2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene?
The canonical SMILES for 2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene is C=C(Oc1ccc(C(C)C)cc1C)c1cccc(C)c1.
What is the InChIKey of 2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene?
The InChIKey is JBURVZWGIAEGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-13(2)17-9-10-19(15(4)12-17)20-16(5)18-8-6-7-14(3)11-18/h6-13H,5H2,1-4H3.
What are the key properties of 2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene?
2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene has a molecular weight of 266.38 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(3-methylphenyl)ethenoxy]-4-propan-2-ylbenzene is sourced from PubChem (CID 143844971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).