1-iodo-4-[(3-methylphenoxy)methyl]benzene

C14H13IO — CID 65490135

IUPAC1-iodo-4-[(3-methylphenoxy)methyl]benzene
SMILESCc1cccc(OCc2ccc(I)cc2)c1
InChIInChI=1S/C14H13IO/c1-11-3-2-4-14(9-11)16-10-12-5-7-13(15)8-6-12/h2-9H,10H2,1H3
InChIKeyDIYJAQNWSPLQIJ-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.18
Rot. Bonds3

About 1-iodo-4-[(3-methylphenoxy)methyl]benzene

1-iodo-4-[(3-methylphenoxy)methyl]benzene (PubChem CID 65490135) has the molecular formula C14H13IO and a molecular weight of 324.16 g/mol. Its IUPAC name is 1-iodo-4-[(3-methylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[(3-methylphenoxy)methyl]benzene
PubChem CID65490135
Molecular FormulaC14H13IO
Molecular Weight324.16 g/mol
Exact Mass324.00
IUPAC Name1-iodo-4-[(3-methylphenoxy)methyl]benzene
SMILESCc1cccc(OCc2ccc(I)cc2)c1
InChIInChI=1S/C14H13IO/c1-11-3-2-4-14(9-11)16-10-12-5-7-13(15)8-6-12/h2-9H,10H2,1H3
InChIKeyDIYJAQNWSPLQIJ-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-methylphenoxy)methyl]aniline
CID 16789694
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
pentafluoro-[4-[(3-methylphenoxy)methyl]phenyl]-λ6-sulfane
CID 177287975
4-[(3-methylphenoxy)methyl]benzene-1,2-diol
CID 117220373
1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 65476801
2-methyl-5-[(3-methylphenoxy)methyl]phenol
CID 117221818
2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene
CID 117221819
4-[(4-iodophenyl)methoxy]-2-methylaniline
CID 65498774
1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326
1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene
CID 60644543
2-[(4-iodophenyl)methoxy]-1,3-dimethylbenzene
CID 65489726
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[(3-methylphenoxy)methyl]benzene?
The IUPAC name of 1-iodo-4-[(3-methylphenoxy)methyl]benzene (CID 65490135) is 1-iodo-4-[(3-methylphenoxy)methyl]benzene.
What is the SMILES notation for 1-iodo-4-[(3-methylphenoxy)methyl]benzene?
The canonical SMILES for 1-iodo-4-[(3-methylphenoxy)methyl]benzene is Cc1cccc(OCc2ccc(I)cc2)c1.
What is the InChIKey of 1-iodo-4-[(3-methylphenoxy)methyl]benzene?
The InChIKey is DIYJAQNWSPLQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO/c1-11-3-2-4-14(9-11)16-10-12-5-7-13(15)8-6-12/h2-9H,10H2,1H3.
What are the key properties of 1-iodo-4-[(3-methylphenoxy)methyl]benzene?
1-iodo-4-[(3-methylphenoxy)methyl]benzene has a molecular weight of 324.16 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[(3-methylphenoxy)methyl]benzene is sourced from PubChem (CID 65490135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).