1-ethenyl-4-methyl-2-prop-2-enoxybenzene

C12H14O — CID 59606813

IUPAC1-ethenyl-4-methyl-2-prop-2-enoxybenzene
SMILESC=CCOc1cc(C)ccc1C=C
InChIInChI=1S/C12H14O/c1-4-8-13-12-9-10(3)6-7-11(12)5-2/h4-7,9H,1-2,8H2,3H3
InChIKeyBVDFKISWDMHWEG-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.20
Rot. Bonds4

About 1-ethenyl-4-methyl-2-prop-2-enoxybenzene

1-ethenyl-4-methyl-2-prop-2-enoxybenzene (PubChem CID 59606813) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-ethenyl-4-methyl-2-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-ethenyl-4-methyl-2-prop-2-enoxybenzene
PubChem CID59606813
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-ethenyl-4-methyl-2-prop-2-enoxybenzene
SMILESC=CCOc1cc(C)ccc1C=C
InChIInChI=1S/C12H14O/c1-4-8-13-12-9-10(3)6-7-11(12)5-2/h4-7,9H,1-2,8H2,3H3
InChIKeyBVDFKISWDMHWEG-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methyl-2-prop-2-enoxybenzene?
The IUPAC name of 1-ethenyl-4-methyl-2-prop-2-enoxybenzene (CID 59606813) is 1-ethenyl-4-methyl-2-prop-2-enoxybenzene.
What is the SMILES notation for 1-ethenyl-4-methyl-2-prop-2-enoxybenzene?
The canonical SMILES for 1-ethenyl-4-methyl-2-prop-2-enoxybenzene is C=CCOc1cc(C)ccc1C=C.
What is the InChIKey of 1-ethenyl-4-methyl-2-prop-2-enoxybenzene?
The InChIKey is BVDFKISWDMHWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-4-8-13-12-9-10(3)6-7-11(12)5-2/h4-7,9H,1-2,8H2,3H3.
What are the key properties of 1-ethenyl-4-methyl-2-prop-2-enoxybenzene?
1-ethenyl-4-methyl-2-prop-2-enoxybenzene has a molecular weight of 174.24 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methyl-2-prop-2-enoxybenzene is sourced from PubChem (CID 59606813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).