1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene

C13H9Cl2IO — CID 60627529

IUPAC1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
SMILESClc1cccc(Cl)c1COc1ccc(I)cc1
InChIInChI=1S/C13H9Cl2IO/c14-12-2-1-3-13(15)11(12)8-17-10-6-4-9(16)5-7-10/h1-7H,8H2
InChIKeyYZEXJGKGXVTMLL-UHFFFAOYSA-N
MW379.02 g/mol
LogP5.18
Rot. Bonds3

About 1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene

1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene (PubChem CID 60627529) has the molecular formula C13H9Cl2IO and a molecular weight of 379.02 g/mol. Its IUPAC name is 1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
PubChem CID60627529
Molecular FormulaC13H9Cl2IO
Molecular Weight379.02 g/mol
Exact Mass377.91
IUPAC Name1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
SMILESClc1cccc(Cl)c1COc1ccc(I)cc1
InChIInChI=1S/C13H9Cl2IO/c14-12-2-1-3-13(15)11(12)8-17-10-6-4-9(16)5-7-10/h1-7H,8H2
InChIKeyYZEXJGKGXVTMLL-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.02
LogP ≤ 55.18
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

2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
CID 142233914
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
potassium [4-[(2,6-dichlorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 63677693
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile
CID 28888239
N-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetamide
CID 7640056
3-chloro-2-[(3-iodophenoxy)methyl]aniline
CID 63746124
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
CID 18678156
1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene
CID 174342674
(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 63532785

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene?
The IUPAC name of 1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene (CID 60627529) is 1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene is Clc1cccc(Cl)c1COc1ccc(I)cc1.
What is the InChIKey of 1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene?
The InChIKey is YZEXJGKGXVTMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2IO/c14-12-2-1-3-13(15)11(12)8-17-10-6-4-9(16)5-7-10/h1-7H,8H2.
What are the key properties of 1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene?
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene has a molecular weight of 379.02 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene is sourced from PubChem (CID 60627529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).