4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile

C15H11FINO2 — CID 2974967

IUPAC4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(I)c1OCc1cccc(F)c1
InChIInChI=1S/C15H11FINO2/c1-19-14-7-11(8-18)6-13(17)15(14)20-9-10-3-2-4-12(16)5-10/h2-7H,9H2,1H3
InChIKeyIBZRHKKQDYRDKV-UHFFFAOYSA-N
MW383.16 g/mol
LogP3.89
Rot. Bonds4

About 4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile

4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile (PubChem CID 2974967) has the molecular formula C15H11FINO2 and a molecular weight of 383.16 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile
PubChem CID2974967
Molecular FormulaC15H11FINO2
Molecular Weight383.16 g/mol
Exact Mass382.98
IUPAC Name4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile
SMILESCOc1cc(C#N)cc(I)c1OCc1cccc(F)c1
InChIInChI=1S/C15H11FINO2/c1-19-14-7-11(8-18)6-13(17)15(14)20-9-10-3-2-4-12(16)5-10/h2-7H,9H2,1H3
InChIKeyIBZRHKKQDYRDKV-UHFFFAOYSA-N
XLogP3.89
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.16
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

4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile
CID 91683464
3-iodo-5-methoxy-4-(2-phenylethoxy)benzonitrile
CID 2229018
3-[(4-formyl-2-iodo-6-methoxyphenoxy)methyl]benzonitrile
CID 28690184
3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 103760064
(E)-2-(3-fluorophenyl)-3-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile
CID 2231404
3-iodo-5-methoxy-4-prop-2-ynoxybenzonitrile
CID 6456880
(E)-2-(3-fluorophenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]prop-2-enenitrile
CID 126398472
3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxybenzonitrile
CID 7893328
3-[(3-fluorophenyl)methoxy]benzonitrile
CID 27108743
N-(5-chloro-2-methylphenyl)-1-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanimine
CID 126216241
2-acetamido-3-[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]prop-2-enoic acid
CID 3744747
4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodobenzonitrile
CID 91683465

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile?
The IUPAC name of 4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile (CID 2974967) is 4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile.
What is the SMILES notation for 4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile?
The canonical SMILES for 4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile is COc1cc(C#N)cc(I)c1OCc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile?
The InChIKey is IBZRHKKQDYRDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FINO2/c1-19-14-7-11(8-18)6-13(17)15(14)20-9-10-3-2-4-12(16)5-10/h2-7H,9H2,1H3.
What are the key properties of 4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile?
4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile has a molecular weight of 383.16 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile is sourced from PubChem (CID 2974967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).