2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene

C14H12FIO2 — CID 102876837

IUPAC2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene
SMILESCOc1ccc(COc2ccc(I)cc2)c(F)c1
InChIInChI=1S/C14H12FIO2/c1-17-13-5-2-10(14(15)8-13)9-18-12-6-3-11(16)4-7-12/h2-8H,9H2,1H3
InChIKeyNWSQSXJMYJQECZ-UHFFFAOYSA-N
MW358.15 g/mol
LogP4.02
Rot. Bonds4

About 2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene

2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene (PubChem CID 102876837) has the molecular formula C14H12FIO2 and a molecular weight of 358.15 g/mol. Its IUPAC name is 2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene
PubChem CID102876837
Molecular FormulaC14H12FIO2
Molecular Weight358.15 g/mol
Exact Mass357.99
IUPAC Name2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene
SMILESCOc1ccc(COc2ccc(I)cc2)c(F)c1
InChIInChI=1S/C14H12FIO2/c1-17-13-5-2-10(14(15)8-13)9-18-12-6-3-11(16)4-7-12/h2-8H,9H2,1H3
InChIKeyNWSQSXJMYJQECZ-UHFFFAOYSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.15
LogP ≤ 54.02
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

4-[(2-fluoro-4-methoxyphenyl)methoxy]-N-methylaniline
CID 102878273
1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102876842
2-fluoro-6-[(2-fluoro-4-methoxyphenyl)methoxy]naphthalene
CID 139853874
2-[4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanethioamide
CID 102876786
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 107675360
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
2-[(2-fluoro-4-methoxyphenyl)methoxy]phenol
CID 102877217
[3-fluoro-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877142
[3,5-difluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877122
1,4-dichloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102879421
3-[(2-fluoro-4-methoxyphenyl)methoxy]quinoline
CID 107388111
1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876103

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene?
The IUPAC name of 2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene (CID 102876837) is 2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene.
What is the SMILES notation for 2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene?
The canonical SMILES for 2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene is COc1ccc(COc2ccc(I)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene?
The InChIKey is NWSQSXJMYJQECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FIO2/c1-17-13-5-2-10(14(15)8-13)9-18-12-6-3-11(16)4-7-12/h2-8H,9H2,1H3.
What are the key properties of 2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene?
2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene has a molecular weight of 358.15 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(4-iodophenoxy)methyl]-4-methoxybenzene is sourced from PubChem (CID 102876837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).