1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine

C20H18N2O3 — CID 123557700

IUPAC1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine
SMILES[H]/N=C/C/C(=N\[H])c1ccc(Oc2ccc(OCc3ccoc3)cc2)cc1
InChIInChI=1S/C20H18N2O3/c21-11-9-20(22)16-1-3-18(4-2-16)25-19-7-5-17(6-8-19)24-14-15-10-12-23-13-15/h1-8,10-13,21-22H,9,14H2/b21-11+,22-20+
InChIKeyOICQKPWSAYDAIS-KYPJYIKXSA-N
MW334.38 g/mol
LogP5.06
Rot. Bonds8

About 1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine

1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine (PubChem CID 123557700) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine.

Molecular Properties

Compound Name1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine
PubChem CID123557700
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine
SMILES[H]/N=C/C/C(=N\[H])c1ccc(Oc2ccc(OCc3ccoc3)cc2)cc1
InChIInChI=1S/C20H18N2O3/c21-11-9-20(22)16-1-3-18(4-2-16)25-19-7-5-17(6-8-19)24-14-15-10-12-23-13-15/h1-8,10-13,21-22H,9,14H2/b21-11+,22-20+
InChIKeyOICQKPWSAYDAIS-KYPJYIKXSA-N
XLogP5.06
TPSA79.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine
CID 123835373
1-[4-[4-(oxan-4-yloxy)phenoxy]phenyl]propane-1,3-diimine
CID 123942418
2-[4-(furan-3-ylmethoxy)phenyl]acetic acid
CID 68666970
4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 123988406
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
(Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine
CID 89395166
3-(furan-3-ylmethoxy)pyridine
CID 112558860
3,5-bis[(4-carbamimidoylphenoxy)methyl]benzenecarboximidamide
CID 139902633
3-[(3-bromophenoxy)methyl]furan
CID 83171988
4-(furan-3-ylmethoxy)-1-methylpyrazole
CID 116793970
4-[(4-chloro-3-fluorophenyl)methoxy]-N-(furan-3-ylmethyl)benzamide
CID 145364548
(Z)-3-imino-1-[4-[4-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]phenoxy]phenyl]prop-1-en-1-amine
CID 89395185

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine?
The IUPAC name of 1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine (CID 123557700) is 1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine.
What is the SMILES notation for 1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine?
The canonical SMILES for 1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine is [H]/N=C/C/C(=N\[H])c1ccc(Oc2ccc(OCc3ccoc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine?
The InChIKey is OICQKPWSAYDAIS-KYPJYIKXSA-N. The full InChI is InChI=1S/C20H18N2O3/c21-11-9-20(22)16-1-3-18(4-2-16)25-19-7-5-17(6-8-19)24-14-15-10-12-23-13-15/h1-8,10-13,21-22H,9,14H2/b21-11+,22-20+.
What are the key properties of 1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine?
1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine has a molecular weight of 334.38 g/mol, XLogP of 5.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(furan-3-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine is sourced from PubChem (CID 123557700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).