1-fluoro-2-iodo-4-phenylmethoxybenzene

C13H10FIO — CID 18330888

IUPAC1-fluoro-2-iodo-4-phenylmethoxybenzene
SMILESFc1ccc(OCc2ccccc2)cc1I
InChIInChI=1S/C13H10FIO/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyAUBIMIDQZZHPBG-UHFFFAOYSA-N
MW328.12 g/mol
LogP4.01
Rot. Bonds3

About 1-fluoro-2-iodo-4-phenylmethoxybenzene

1-fluoro-2-iodo-4-phenylmethoxybenzene (PubChem CID 18330888) has the molecular formula C13H10FIO and a molecular weight of 328.12 g/mol. Its IUPAC name is 1-fluoro-2-iodo-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-fluoro-2-iodo-4-phenylmethoxybenzene
PubChem CID18330888
Molecular FormulaC13H10FIO
Molecular Weight328.12 g/mol
Exact Mass327.98
IUPAC Name1-fluoro-2-iodo-4-phenylmethoxybenzene
SMILESFc1ccc(OCc2ccccc2)cc1I
InChIInChI=1S/C13H10FIO/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyAUBIMIDQZZHPBG-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 54.01
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-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol
CID 83988743
2-fluoro-1-nitroso-4-phenylmethoxybenzene
CID 123801524
(1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol
CID 129361760
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene
CID 167488738
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-iodo-4-phenylmethoxybenzene?
The IUPAC name of 1-fluoro-2-iodo-4-phenylmethoxybenzene (CID 18330888) is 1-fluoro-2-iodo-4-phenylmethoxybenzene.
What is the SMILES notation for 1-fluoro-2-iodo-4-phenylmethoxybenzene?
The canonical SMILES for 1-fluoro-2-iodo-4-phenylmethoxybenzene is Fc1ccc(OCc2ccccc2)cc1I.
What is the InChIKey of 1-fluoro-2-iodo-4-phenylmethoxybenzene?
The InChIKey is AUBIMIDQZZHPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIO/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 1-fluoro-2-iodo-4-phenylmethoxybenzene?
1-fluoro-2-iodo-4-phenylmethoxybenzene has a molecular weight of 328.12 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-iodo-4-phenylmethoxybenzene is sourced from PubChem (CID 18330888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).