5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde

C17H16N2O4 — CID 169333930

IUPAC5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(OCC(O)Cn3ccnc3)cc2)o1
InChIInChI=1S/C17H16N2O4/c20-10-16-5-6-17(23-16)13-1-3-15(4-2-13)22-11-14(21)9-19-8-7-18-12-19/h1-8,10,12,14,21H,9,11H2
InChIKeyZEIXGFIQRHHBGW-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.40
Rot. Bonds7

About 5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde

5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde (PubChem CID 169333930) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde
PubChem CID169333930
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(OCC(O)Cn3ccnc3)cc2)o1
InChIInChI=1S/C17H16N2O4/c20-10-16-5-6-17(23-16)13-1-3-15(4-2-13)22-11-14(21)9-19-8-7-18-12-19/h1-8,10,12,14,21H,9,11H2
InChIKeyZEIXGFIQRHHBGW-UHFFFAOYSA-N
XLogP2.40
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol
CID 168526584
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol
CID 7449350
N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842
1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol;oxalic acid
CID 46735935
methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
CID 47130684
1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 168513831
(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol
CID 58930396
(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol
CID 1090501
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762
1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 54162166
5-(4-pentoxyphenyl)furan-2-carbaldehyde
CID 169333298

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde (CID 169333930) is 5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(OCC(O)Cn3ccnc3)cc2)o1.
What is the InChIKey of 5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde?
The InChIKey is ZEIXGFIQRHHBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-10-16-5-6-17(23-16)13-1-3-15(4-2-13)22-11-14(21)9-19-8-7-18-12-19/h1-8,10,12,14,21H,9,11H2.
What are the key properties of 5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde?
5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde has a molecular weight of 312.33 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169333930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).