2-ethyl-5-iodo-1,3-dimethoxybenzene

C10H13IO2 — CID 118819025

IUPAC2-ethyl-5-iodo-1,3-dimethoxybenzene
SMILESCCc1c(OC)cc(I)cc1OC
InChIInChI=1S/C10H13IO2/c1-4-8-9(12-2)5-7(11)6-10(8)13-3/h5-6H,4H2,1-3H3
InChIKeyQIFXZJOLFGZNOZ-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.87
Rot. Bonds3

About 2-ethyl-5-iodo-1,3-dimethoxybenzene

2-ethyl-5-iodo-1,3-dimethoxybenzene (PubChem CID 118819025) has the molecular formula C10H13IO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-ethyl-5-iodo-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-ethyl-5-iodo-1,3-dimethoxybenzene
PubChem CID118819025
Molecular FormulaC10H13IO2
Molecular Weight292.12 g/mol
Exact Mass292.00
IUPAC Name2-ethyl-5-iodo-1,3-dimethoxybenzene
SMILESCCc1c(OC)cc(I)cc1OC
InChIInChI=1S/C10H13IO2/c1-4-8-9(12-2)5-7(11)6-10(8)13-3/h5-6H,4H2,1-3H3
InChIKeyQIFXZJOLFGZNOZ-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile
CID 119002608
1-ethyl-4-iodo-2-methoxybenzene
CID 90338673
O-methyl 4-ethyl-3,5-dimethoxybenzenecarbothioate
CID 154133859
ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate
CID 165355692
2-ethyl-1-methoxy-3,4,5-trimethylbenzene
CID 118500678
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865
ethane;4-ethyl-5-methoxybenzene-1,3-diol
CID 153353458
ethyl 4-iodo-2,6-dimethoxybenzoate
CID 22933011
2,3-diethyl-4-methoxy-6-methylphenol
CID 162375144
2,5-diethyl-1-fluoro-3-methoxybenzene
CID 175600199
2-fluoro-1,5-diiodo-3-methoxybenzene
CID 130984918
2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol
CID 135271643

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-iodo-1,3-dimethoxybenzene?
The IUPAC name of 2-ethyl-5-iodo-1,3-dimethoxybenzene (CID 118819025) is 2-ethyl-5-iodo-1,3-dimethoxybenzene.
What is the SMILES notation for 2-ethyl-5-iodo-1,3-dimethoxybenzene?
The canonical SMILES for 2-ethyl-5-iodo-1,3-dimethoxybenzene is CCc1c(OC)cc(I)cc1OC.
What is the InChIKey of 2-ethyl-5-iodo-1,3-dimethoxybenzene?
The InChIKey is QIFXZJOLFGZNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO2/c1-4-8-9(12-2)5-7(11)6-10(8)13-3/h5-6H,4H2,1-3H3.
What are the key properties of 2-ethyl-5-iodo-1,3-dimethoxybenzene?
2-ethyl-5-iodo-1,3-dimethoxybenzene has a molecular weight of 292.12 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-iodo-1,3-dimethoxybenzene is sourced from PubChem (CID 118819025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).