1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine

C28H23FINO3 — CID 126216496

IUPAC1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1OCc1cccc(F)c1
InChIInChI=1S/C28H23FINO3/c1-2-32-27-17-21(16-26(30)28(27)33-19-20-7-6-8-22(29)15-20)18-31-23-11-13-25(14-12-23)34-24-9-4-3-5-10-24/h3-18H,2,19H2,1H3/b31-18+
InChIKeyJUVLXHFNDXDUGD-FDAWAROLSA-N
MW567.40 g/mol
LogP7.95
Rot. Bonds9

About 1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine

1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine (PubChem CID 126216496) has the molecular formula C28H23FINO3 and a molecular weight of 567.40 g/mol. Its IUPAC name is 1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine
PubChem CID126216496
Molecular FormulaC28H23FINO3
Molecular Weight567.40 g/mol
Exact Mass567.07
IUPAC Name1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1OCc1cccc(F)c1
InChIInChI=1S/C28H23FINO3/c1-2-32-27-17-21(16-26(30)28(27)33-19-20-7-6-8-22(29)15-20)18-31-23-11-13-25(14-12-23)34-24-9-4-3-5-10-24/h3-18H,2,19H2,1H3/b31-18+
InChIKeyJUVLXHFNDXDUGD-FDAWAROLSA-N
XLogP7.95
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.40
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxy-5-iodo-4-propoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126223775
1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223346
1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126209247
1-(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126208248
1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126218474
1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126217330
N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126216170
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126221635
1-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126215352
1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126217786
1-[4-[(4-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126221350
1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126214930

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine?
The IUPAC name of 1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine (CID 126216496) is 1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine?
The canonical SMILES for 1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine is CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(I)c1OCc1cccc(F)c1.
What is the InChIKey of 1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine?
The InChIKey is JUVLXHFNDXDUGD-FDAWAROLSA-N. The full InChI is InChI=1S/C28H23FINO3/c1-2-32-27-17-21(16-26(30)28(27)33-19-20-7-6-8-22(29)15-20)18-31-23-11-13-25(14-12-23)34-24-9-4-3-5-10-24/h3-18H,2,19H2,1H3/b31-18+.
What are the key properties of 1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine?
1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine has a molecular weight of 567.40 g/mol, XLogP of 7.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 126216496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).