1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine

C27H22FNO3 — CID 126209247

IUPAC1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc(F)c1
InChIInChI=1S/C27H22FNO3/c1-30-27-17-20(10-15-26(27)31-19-21-6-5-7-22(28)16-21)18-29-23-11-13-25(14-12-23)32-24-8-3-2-4-9-24/h2-18H,19H2,1H3/b29-18+
InChIKeyUHTZYSMKJNEOHK-RDRPBHBLSA-N
MW427.48 g/mol
LogP6.96
Rot. Bonds8

About 1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine

1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine (PubChem CID 126209247) has the molecular formula C27H22FNO3 and a molecular weight of 427.48 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
PubChem CID126209247
Molecular FormulaC27H22FNO3
Molecular Weight427.48 g/mol
Exact Mass427.16
IUPAC Name1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc(F)c1
InChIInChI=1S/C27H22FNO3/c1-30-27-17-20(10-15-26(27)31-19-21-6-5-7-22(28)16-21)18-29-23-11-13-25(14-12-23)32-24-8-3-2-4-9-24/h2-18H,19H2,1H3/b29-18+
InChIKeyUHTZYSMKJNEOHK-RDRPBHBLSA-N
XLogP6.96
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine?
The IUPAC name of 1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine (CID 126209247) is 1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine is COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc(F)c1.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine?
The InChIKey is UHTZYSMKJNEOHK-RDRPBHBLSA-N. The full InChI is InChI=1S/C27H22FNO3/c1-30-27-17-20(10-15-26(27)31-19-21-6-5-7-22(28)16-21)18-29-23-11-13-25(14-12-23)32-24-8-3-2-4-9-24/h2-18H,19H2,1H3/b29-18+.
What are the key properties of 1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine?
1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine has a molecular weight of 427.48 g/mol, XLogP of 6.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 126209247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).