1-iodo-2-(4-methoxyphenoxy)benzene

C13H11IO2 — CID 11347944

IUPAC1-iodo-2-(4-methoxyphenoxy)benzene
SMILESCOc1ccc(Oc2ccccc2I)cc1
InChIInChI=1S/C13H11IO2/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-9H,1H3
InChIKeyBMPGJOOUEHBVMH-UHFFFAOYSA-N
MW326.13 g/mol
LogP4.09
Rot. Bonds3

About 1-iodo-2-(4-methoxyphenoxy)benzene

1-iodo-2-(4-methoxyphenoxy)benzene (PubChem CID 11347944) has the molecular formula C13H11IO2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 1-iodo-2-(4-methoxyphenoxy)benzene.

Molecular Properties

Compound Name1-iodo-2-(4-methoxyphenoxy)benzene
PubChem CID11347944
Molecular FormulaC13H11IO2
Molecular Weight326.13 g/mol
Exact Mass325.98
IUPAC Name1-iodo-2-(4-methoxyphenoxy)benzene
SMILESCOc1ccc(Oc2ccccc2I)cc1
InChIInChI=1S/C13H11IO2/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-9H,1H3
InChIKeyBMPGJOOUEHBVMH-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 54.09
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-methoxyphenoxy)phenol
CID 54145402
4-(2-iodophenoxy)benzenesulfonamide
CID 43479680
2-(4-methoxyphenoxy)benzenediazonium
CID 10358242
N-ethyl-1-[4-(2-iodophenoxy)phenyl]ethanamine
CID 43479753
1-[4-(2-iodophenoxy)phenyl]butan-2-amine
CID 63802314
2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene
CID 134929204
3-iodo-4-(4-methoxyphenoxy)benzonitrile
CID 134929807
[4-(2-iodophenoxy)phenyl] prop-2-enoate
CID 142847330
N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43479752
bis(4-methoxyphenyl)-(2-phenoxyphenyl)sulfanium
CID 132571477
2-(2-iodophenoxy)-4,6-dimethylpyrimidine
CID 61400111
1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen
CID 70565966

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(4-methoxyphenoxy)benzene?
The IUPAC name of 1-iodo-2-(4-methoxyphenoxy)benzene (CID 11347944) is 1-iodo-2-(4-methoxyphenoxy)benzene.
What is the SMILES notation for 1-iodo-2-(4-methoxyphenoxy)benzene?
The canonical SMILES for 1-iodo-2-(4-methoxyphenoxy)benzene is COc1ccc(Oc2ccccc2I)cc1.
What is the InChIKey of 1-iodo-2-(4-methoxyphenoxy)benzene?
The InChIKey is BMPGJOOUEHBVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO2/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-9H,1H3.
What are the key properties of 1-iodo-2-(4-methoxyphenoxy)benzene?
1-iodo-2-(4-methoxyphenoxy)benzene has a molecular weight of 326.13 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(4-methoxyphenoxy)benzene is sourced from PubChem (CID 11347944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).