1-(chloromethyl)-3-(3-iodophenoxy)benzene

C13H10ClIO — CID 112594493

IUPAC1-(chloromethyl)-3-(3-iodophenoxy)benzene
SMILESClCc1cccc(Oc2cccc(I)c2)c1
InChIInChI=1S/C13H10ClIO/c14-9-10-3-1-5-12(7-10)16-13-6-2-4-11(15)8-13/h1-8H,9H2
InChIKeyRIYINLGDYLJLIG-UHFFFAOYSA-N
MW344.58 g/mol
LogP4.82
Rot. Bonds3

About 1-(chloromethyl)-3-(3-iodophenoxy)benzene

1-(chloromethyl)-3-(3-iodophenoxy)benzene (PubChem CID 112594493) has the molecular formula C13H10ClIO and a molecular weight of 344.58 g/mol. Its IUPAC name is 1-(chloromethyl)-3-(3-iodophenoxy)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-(3-iodophenoxy)benzene
PubChem CID112594493
Molecular FormulaC13H10ClIO
Molecular Weight344.58 g/mol
Exact Mass343.95
IUPAC Name1-(chloromethyl)-3-(3-iodophenoxy)benzene
SMILESClCc1cccc(Oc2cccc(I)c2)c1
InChIInChI=1S/C13H10ClIO/c14-9-10-3-1-5-12(7-10)16-13-6-2-4-11(15)8-13/h1-8H,9H2
InChIKeyRIYINLGDYLJLIG-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 54.82
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-(chloromethyl)-3-iodobenzene
CID 13059978
1-(chloromethyl)-3-(3-methoxyphenoxy)benzene
CID 19421777
1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494556
4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene
CID 139463113
1-fluoro-3-(3-iodophenoxy)benzene
CID 118960389
1-(chloromethyl)-3-(2-methylphenoxy)benzene
CID 112594476
2-(chloromethyl)-6-(3-iodophenoxy)pyrazine
CID 66467349
2-bromo-6-[3-(chloromethyl)phenoxy]pyridine
CID 171460464
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
5-chloro-4-(chloromethyl)-2-(3-iodophenoxy)pyridine
CID 114921271
tert-butyl N-[[3-(3-iodophenoxy)phenyl]methyl]carbamate
CID 58104450
1,3,5-triiodo-2-(3-iodophenoxy)benzene
CID 154130113

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-(3-iodophenoxy)benzene?
The IUPAC name of 1-(chloromethyl)-3-(3-iodophenoxy)benzene (CID 112594493) is 1-(chloromethyl)-3-(3-iodophenoxy)benzene.
What is the SMILES notation for 1-(chloromethyl)-3-(3-iodophenoxy)benzene?
The canonical SMILES for 1-(chloromethyl)-3-(3-iodophenoxy)benzene is ClCc1cccc(Oc2cccc(I)c2)c1.
What is the InChIKey of 1-(chloromethyl)-3-(3-iodophenoxy)benzene?
The InChIKey is RIYINLGDYLJLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIO/c14-9-10-3-1-5-12(7-10)16-13-6-2-4-11(15)8-13/h1-8H,9H2.
What are the key properties of 1-(chloromethyl)-3-(3-iodophenoxy)benzene?
1-(chloromethyl)-3-(3-iodophenoxy)benzene has a molecular weight of 344.58 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-(3-iodophenoxy)benzene is sourced from PubChem (CID 112594493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).