1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene

C12H15IO2 — CID 11359029

IUPAC1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene
SMILESC=CCOC(CI)c1ccc(OC)cc1
InChIInChI=1S/C12H15IO2/c1-3-8-15-12(9-13)10-4-6-11(14-2)7-5-10/h3-7,12H,1,8-9H2,2H3
InChIKeyRAXSOTGQGOCUPK-UHFFFAOYSA-N
MW318.15 g/mol
LogP3.37
Rot. Bonds6

About 1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene

1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene (PubChem CID 11359029) has the molecular formula C12H15IO2 and a molecular weight of 318.15 g/mol. Its IUPAC name is 1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene
PubChem CID11359029
Molecular FormulaC12H15IO2
Molecular Weight318.15 g/mol
Exact Mass318.01
IUPAC Name1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene
SMILESC=CCOC(CI)c1ccc(OC)cc1
InChIInChI=1S/C12H15IO2/c1-3-8-15-12(9-13)10-4-6-11(14-2)7-5-10/h3-7,12H,1,8-9H2,2H3
InChIKeyRAXSOTGQGOCUPK-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene?
The IUPAC name of 1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene (CID 11359029) is 1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene?
The canonical SMILES for 1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene is C=CCOC(CI)c1ccc(OC)cc1.
What is the InChIKey of 1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene?
The InChIKey is RAXSOTGQGOCUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO2/c1-3-8-15-12(9-13)10-4-6-11(14-2)7-5-10/h3-7,12H,1,8-9H2,2H3.
What are the key properties of 1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene?
1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene has a molecular weight of 318.15 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodo-1-prop-2-enoxyethyl)-4-methoxybenzene is sourced from PubChem (CID 11359029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).