2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene

C16H16I2O — CID 90113511

IUPAC2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(OCc2ccccc2C(I)I)c1
InChIInChI=1S/C16H16I2O/c1-11-7-8-12(2)15(9-11)19-10-13-5-3-4-6-14(13)16(17)18/h3-9,16H,10H2,1-2H3
InChIKeyGWUYWSFDQNJMCA-UHFFFAOYSA-N
MW478.11 g/mol
LogP5.75
Rot. Bonds4

About 2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene

2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene (PubChem CID 90113511) has the molecular formula C16H16I2O and a molecular weight of 478.11 g/mol. Its IUPAC name is 2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene
PubChem CID90113511
Molecular FormulaC16H16I2O
Molecular Weight478.11 g/mol
Exact Mass477.93
IUPAC Name2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(OCc2ccccc2C(I)I)c1
InChIInChI=1S/C16H16I2O/c1-11-7-8-12(2)15(9-11)19-10-13-5-3-4-6-14(13)16(17)18/h3-9,16H,10H2,1-2H3
InChIKeyGWUYWSFDQNJMCA-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.11
LogP ≤ 55.75
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

2-[[2-(dipropoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 67069161
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one
CID 123161205
2-chloro-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 139703547
2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 67069190
2-[[2-(bromomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113514
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-nitroacetic acid
CID 139703544
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide
CID 18357808
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide
CID 67121861
1-[(2,5-dimethylphenoxy)methyl]naphthalene
CID 78906369
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfinylacetate
CID 18357827
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfonylacetate
CID 18357810
3-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]-methoxymethyl]-N-methyloxiran-2-amine
CID 123224666

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene?
The IUPAC name of 2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene (CID 90113511) is 2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene?
The canonical SMILES for 2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene is Cc1ccc(C)c(OCc2ccccc2C(I)I)c1.
What is the InChIKey of 2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene?
The InChIKey is GWUYWSFDQNJMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16I2O/c1-11-7-8-12(2)15(9-11)19-10-13-5-3-4-6-14(13)16(17)18/h3-9,16H,10H2,1-2H3.
What are the key properties of 2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene?
2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene has a molecular weight of 478.11 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene is sourced from PubChem (CID 90113511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).