1-(ethenoxymethyl)-4-methylbenzene

C10H12O — CID 569654

IUPAC1-(ethenoxymethyl)-4-methylbenzene
SMILESC=COCc1ccc(C)cc1
InChIInChI=1S/C10H12O/c1-3-11-8-10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3
InChIKeyOFINHWFZJCFTAB-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.66
Rot. Bonds3

About 1-(ethenoxymethyl)-4-methylbenzene

1-(ethenoxymethyl)-4-methylbenzene (PubChem CID 569654) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(ethenoxymethyl)-4-methylbenzene
PubChem CID569654
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1-(ethenoxymethyl)-4-methylbenzene
SMILESC=COCc1ccc(C)cc1
InChIInChI=1S/C10H12O/c1-3-11-8-10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3
InChIKeyOFINHWFZJCFTAB-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.66
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 1-(ethenoxymethyl)-4-methylbenzene?
The IUPAC name of 1-(ethenoxymethyl)-4-methylbenzene (CID 569654) is 1-(ethenoxymethyl)-4-methylbenzene.
What is the SMILES notation for 1-(ethenoxymethyl)-4-methylbenzene?
The canonical SMILES for 1-(ethenoxymethyl)-4-methylbenzene is C=COCc1ccc(C)cc1.
What is the InChIKey of 1-(ethenoxymethyl)-4-methylbenzene?
The InChIKey is OFINHWFZJCFTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-3-11-8-10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3.
What are the key properties of 1-(ethenoxymethyl)-4-methylbenzene?
1-(ethenoxymethyl)-4-methylbenzene has a molecular weight of 148.20 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-4-methylbenzene is sourced from PubChem (CID 569654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).