1-iodo-4-[(2-methoxyphenoxy)methyl]benzene

C14H13IO2 — CID 65490532

IUPAC1-iodo-4-[(2-methoxyphenoxy)methyl]benzene
SMILESCOc1ccccc1OCc1ccc(I)cc1
InChIInChI=1S/C14H13IO2/c1-16-13-4-2-3-5-14(13)17-10-11-6-8-12(15)9-7-11/h2-9H,10H2,1H3
InChIKeyMXMPTXJQBVDDRB-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.88
Rot. Bonds4

About 1-iodo-4-[(2-methoxyphenoxy)methyl]benzene

1-iodo-4-[(2-methoxyphenoxy)methyl]benzene (PubChem CID 65490532) has the molecular formula C14H13IO2 and a molecular weight of 340.16 g/mol. Its IUPAC name is 1-iodo-4-[(2-methoxyphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[(2-methoxyphenoxy)methyl]benzene
PubChem CID65490532
Molecular FormulaC14H13IO2
Molecular Weight340.16 g/mol
Exact Mass340.00
IUPAC Name1-iodo-4-[(2-methoxyphenoxy)methyl]benzene
SMILESCOc1ccccc1OCc1ccc(I)cc1
InChIInChI=1S/C14H13IO2/c1-16-13-4-2-3-5-14(13)17-10-11-6-8-12(15)9-7-11/h2-9H,10H2,1H3
InChIKeyMXMPTXJQBVDDRB-UHFFFAOYSA-N
XLogP3.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
1-methoxy-2-[(4-phenylphenyl)methoxy]benzene
CID 67858860
1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene
CID 65491120
1-iodo-4-[(2-phenylphenoxy)methyl]benzene
CID 65489526
2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092
4-[(4-iodophenoxy)methyl]-1,2-dimethoxybenzene
CID 61400160
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114
2-chloro-5-[(2-methoxyphenoxy)methyl]aniline
CID 43349947
2-[(4-iodophenyl)methoxy]-5-methoxyaniline
CID 65498773
2-chloro-3-[(4-iodophenyl)methoxy]pyridine
CID 65476581

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[(2-methoxyphenoxy)methyl]benzene?
The IUPAC name of 1-iodo-4-[(2-methoxyphenoxy)methyl]benzene (CID 65490532) is 1-iodo-4-[(2-methoxyphenoxy)methyl]benzene.
What is the SMILES notation for 1-iodo-4-[(2-methoxyphenoxy)methyl]benzene?
The canonical SMILES for 1-iodo-4-[(2-methoxyphenoxy)methyl]benzene is COc1ccccc1OCc1ccc(I)cc1.
What is the InChIKey of 1-iodo-4-[(2-methoxyphenoxy)methyl]benzene?
The InChIKey is MXMPTXJQBVDDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO2/c1-16-13-4-2-3-5-14(13)17-10-11-6-8-12(15)9-7-11/h2-9H,10H2,1H3.
What are the key properties of 1-iodo-4-[(2-methoxyphenoxy)methyl]benzene?
1-iodo-4-[(2-methoxyphenoxy)methyl]benzene has a molecular weight of 340.16 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[(2-methoxyphenoxy)methyl]benzene is sourced from PubChem (CID 65490532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).