1-(iodomethyl)-2,4-dimethoxybenzene

C9H11IO2 — CID 91883521

IUPAC1-(iodomethyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(CI)c(OC)c1
InChIInChI=1S/C9H11IO2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5H,6H2,1-2H3
InChIKeyRSEYAYYXFUCZKQ-UHFFFAOYSA-N
MW278.09 g/mol
LogP2.64
Rot. Bonds3

About 1-(iodomethyl)-2,4-dimethoxybenzene

1-(iodomethyl)-2,4-dimethoxybenzene (PubChem CID 91883521) has the molecular formula C9H11IO2 and a molecular weight of 278.09 g/mol. Its IUPAC name is 1-(iodomethyl)-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-(iodomethyl)-2,4-dimethoxybenzene
PubChem CID91883521
Molecular FormulaC9H11IO2
Molecular Weight278.09 g/mol
Exact Mass277.98
IUPAC Name1-(iodomethyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(CI)c(OC)c1
InChIInChI=1S/C9H11IO2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5H,6H2,1-2H3
InChIKeyRSEYAYYXFUCZKQ-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 52.64
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'}

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Related Compounds

1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
CID 175463366
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
1-decyl-2,4-dimethoxybenzene
CID 524862
(NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 24721588
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
4-(2,4-dimethoxyphenyl)but-2-yn-1-amine
CID 91200946

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-2,4-dimethoxybenzene?
The IUPAC name of 1-(iodomethyl)-2,4-dimethoxybenzene (CID 91883521) is 1-(iodomethyl)-2,4-dimethoxybenzene.
What is the SMILES notation for 1-(iodomethyl)-2,4-dimethoxybenzene?
The canonical SMILES for 1-(iodomethyl)-2,4-dimethoxybenzene is COc1ccc(CI)c(OC)c1.
What is the InChIKey of 1-(iodomethyl)-2,4-dimethoxybenzene?
The InChIKey is RSEYAYYXFUCZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5H,6H2,1-2H3.
What are the key properties of 1-(iodomethyl)-2,4-dimethoxybenzene?
1-(iodomethyl)-2,4-dimethoxybenzene has a molecular weight of 278.09 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-2,4-dimethoxybenzene is sourced from PubChem (CID 91883521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).