1-(1,2-diiodoethyl)-2-methoxybenzene

C9H10I2O — CID 174309345

IUPAC1-(1,2-diiodoethyl)-2-methoxybenzene
SMILESCOc1ccccc1C(I)CI
InChIInChI=1S/C9H10I2O/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8H,6H2,1H3
InChIKeyGOCFREFQYRYQLH-UHFFFAOYSA-N
MW387.99 g/mol
LogP3.61
Rot. Bonds3

About 1-(1,2-diiodoethyl)-2-methoxybenzene

1-(1,2-diiodoethyl)-2-methoxybenzene (PubChem CID 174309345) has the molecular formula C9H10I2O and a molecular weight of 387.99 g/mol. Its IUPAC name is 1-(1,2-diiodoethyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(1,2-diiodoethyl)-2-methoxybenzene
PubChem CID174309345
Molecular FormulaC9H10I2O
Molecular Weight387.99 g/mol
Exact Mass387.88
IUPAC Name1-(1,2-diiodoethyl)-2-methoxybenzene
SMILESCOc1ccccc1C(I)CI
InChIInChI=1S/C9H10I2O/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8H,6H2,1H3
InChIKeyGOCFREFQYRYQLH-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.99
LogP ≤ 53.61
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

1-(2-iodo-1-propoxyethyl)-2-methoxybenzene
CID 114772004
1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954416
1-[1-(4,4-dimethylcyclohexyl)oxy-2-iodoethyl]-2-methoxybenzene
CID 114775179
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
1-(3-chlorobutan-2-yl)-2-methoxybenzene
CID 66470656
1-(3-bromobutan-2-yl)-2-methoxybenzene
CID 66469864
1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene
CID 114773706
[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
CID 130462203
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378
(1S)-1-(2-methoxyphenyl)ethanethiol
CID 28974918
[2-[[2-di(propan-2-yl)phosphanylphenyl]-(2-methoxyphenyl)methyl]phenyl]-di(propan-2-yl)phosphane
CID 139112665

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diiodoethyl)-2-methoxybenzene?
The IUPAC name of 1-(1,2-diiodoethyl)-2-methoxybenzene (CID 174309345) is 1-(1,2-diiodoethyl)-2-methoxybenzene.
What is the SMILES notation for 1-(1,2-diiodoethyl)-2-methoxybenzene?
The canonical SMILES for 1-(1,2-diiodoethyl)-2-methoxybenzene is COc1ccccc1C(I)CI.
What is the InChIKey of 1-(1,2-diiodoethyl)-2-methoxybenzene?
The InChIKey is GOCFREFQYRYQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10I2O/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8H,6H2,1H3.
What are the key properties of 1-(1,2-diiodoethyl)-2-methoxybenzene?
1-(1,2-diiodoethyl)-2-methoxybenzene has a molecular weight of 387.99 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diiodoethyl)-2-methoxybenzene is sourced from PubChem (CID 174309345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).