1-(2-iodoethyl)-4-methoxybenzene

C9H11IO — CID 14459372

IUPAC1-(2-iodoethyl)-4-methoxybenzene
SMILESCOc1ccc(CCI)cc1
InChIInChI=1S/C9H11IO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3
InChIKeyQOPVQNMKNZBTGL-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.67
Rot. Bonds3

About 1-(2-iodoethyl)-4-methoxybenzene

1-(2-iodoethyl)-4-methoxybenzene (PubChem CID 14459372) has the molecular formula C9H11IO and a molecular weight of 262.09 g/mol. Its IUPAC name is 1-(2-iodoethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2-iodoethyl)-4-methoxybenzene
PubChem CID14459372
Molecular FormulaC9H11IO
Molecular Weight262.09 g/mol
Exact Mass261.99
IUPAC Name1-(2-iodoethyl)-4-methoxybenzene
SMILESCOc1ccc(CCI)cc1
InChIInChI=1S/C9H11IO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3
InChIKeyQOPVQNMKNZBTGL-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Anethole
CID 637563
Methyleugenol
CID 7127
Estragole
CID 8815
5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
CID 2194
4-Methylanisole
CID 7731
Methylisoeugenol
CID 637776
Anisylacetone
CID 61007
3-Methoxytoluene
CID 7530
cis-Anethole
CID 1549040
Isoeugenyl methyl ether
CID 1549045
1-(4-Methoxyphenyl)-1-penten-3-one
CID 5803450
4-Propylanisole
CID 7702

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodoethyl)-4-methoxybenzene?
The IUPAC name of 1-(2-iodoethyl)-4-methoxybenzene (CID 14459372) is 1-(2-iodoethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2-iodoethyl)-4-methoxybenzene?
The canonical SMILES for 1-(2-iodoethyl)-4-methoxybenzene is COc1ccc(CCI)cc1.
What is the InChIKey of 1-(2-iodoethyl)-4-methoxybenzene?
The InChIKey is QOPVQNMKNZBTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3.
What are the key properties of 1-(2-iodoethyl)-4-methoxybenzene?
1-(2-iodoethyl)-4-methoxybenzene has a molecular weight of 262.09 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodoethyl)-4-methoxybenzene is sourced from PubChem (CID 14459372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).