4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene

C15H15IO3 — CID 61400160

IUPAC4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(COc2ccc(I)cc2)cc1OC
InChIInChI=1S/C15H15IO3/c1-17-14-8-3-11(9-15(14)18-2)10-19-13-6-4-12(16)5-7-13/h3-9H,10H2,1-2H3
InChIKeyPMCKWNINKFQNFJ-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.89
Rot. Bonds5

About 4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene

4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene (PubChem CID 61400160) has the molecular formula C15H15IO3 and a molecular weight of 370.19 g/mol. Its IUPAC name is 4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene
PubChem CID61400160
Molecular FormulaC15H15IO3
Molecular Weight370.19 g/mol
Exact Mass370.01
IUPAC Name4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(COc2ccc(I)cc2)cc1OC
InChIInChI=1S/C15H15IO3/c1-17-14-8-3-11(9-15(14)18-2)10-19-13-6-4-12(16)5-7-13/h3-9H,10H2,1-2H3
InChIKeyPMCKWNINKFQNFJ-UHFFFAOYSA-N
XLogP3.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 78933373
4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene
CID 81421870
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326
1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
CID 83134055
1-iodo-4-[(2-methoxyphenoxy)methyl]benzene
CID 65490532
2-[(4-iodophenyl)methoxy]-5-methoxyaniline
CID 65498773
1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene
CID 60644543
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide
CID 4842945
1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene
CID 134244114
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
2-(3,4-dimethoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 61079391

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene (CID 61400160) is 4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene is COc1ccc(COc2ccc(I)cc2)cc1OC.
What is the InChIKey of 4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene?
The InChIKey is PMCKWNINKFQNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IO3/c1-17-14-8-3-11(9-15(14)18-2)10-19-13-6-4-12(16)5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of 4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene?
4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene has a molecular weight of 370.19 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 61400160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).