1-iodo-4-(phenoxymethyl)benzene

C13H11IO — CID 57494778

IUPAC1-iodo-4-(phenoxymethyl)benzene
SMILESIc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C13H11IO/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyYJHGKSUSTGKZQF-UHFFFAOYSA-N
MW310.13 g/mol
LogP3.87
Rot. Bonds3

About 1-iodo-4-(phenoxymethyl)benzene

1-iodo-4-(phenoxymethyl)benzene (PubChem CID 57494778) has the molecular formula C13H11IO and a molecular weight of 310.13 g/mol. Its IUPAC name is 1-iodo-4-(phenoxymethyl)benzene.

Molecular Properties

Compound Name1-iodo-4-(phenoxymethyl)benzene
PubChem CID57494778
Molecular FormulaC13H11IO
Molecular Weight310.13 g/mol
Exact Mass309.99
IUPAC Name1-iodo-4-(phenoxymethyl)benzene
SMILESIc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C13H11IO/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyYJHGKSUSTGKZQF-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(phenoxymethyl)benzene?
The IUPAC name of 1-iodo-4-(phenoxymethyl)benzene (CID 57494778) is 1-iodo-4-(phenoxymethyl)benzene.
What is the SMILES notation for 1-iodo-4-(phenoxymethyl)benzene?
The canonical SMILES for 1-iodo-4-(phenoxymethyl)benzene is Ic1ccc(COc2ccccc2)cc1.
What is the InChIKey of 1-iodo-4-(phenoxymethyl)benzene?
The InChIKey is YJHGKSUSTGKZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 1-iodo-4-(phenoxymethyl)benzene?
1-iodo-4-(phenoxymethyl)benzene has a molecular weight of 310.13 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(phenoxymethyl)benzene is sourced from PubChem (CID 57494778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).