1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol

C16H16N2O3 — CID 168526584

IUPAC1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol
SMILESOC(COc1ccc(-c2ccco2)cc1)Cn1ccnc1
InChIInChI=1S/C16H16N2O3/c19-14(10-18-8-7-17-12-18)11-21-15-5-3-13(4-6-15)16-2-1-9-20-16/h1-9,12,14,19H,10-11H2
InChIKeyDYTSQDKDAKGYII-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.58
Rot. Bonds6

About 1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol

1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol (PubChem CID 168526584) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol
PubChem CID168526584
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol
SMILESOC(COc1ccc(-c2ccco2)cc1)Cn1ccnc1
InChIInChI=1S/C16H16N2O3/c19-14(10-18-8-7-17-12-18)11-21-15-5-3-13(4-6-15)16-2-1-9-20-16/h1-9,12,14,19H,10-11H2
InChIKeyDYTSQDKDAKGYII-UHFFFAOYSA-N
XLogP2.58
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of 1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol (CID 168526584) is 1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol is OC(COc1ccc(-c2ccco2)cc1)Cn1ccnc1.
What is the InChIKey of 1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol?
The InChIKey is DYTSQDKDAKGYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-14(10-18-8-7-17-12-18)11-21-15-5-3-13(4-6-15)16-2-1-9-20-16/h1-9,12,14,19H,10-11H2.
What are the key properties of 1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol?
1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol has a molecular weight of 284.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 168526584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).