3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol

C17H16N2O2 — CID 50980518

IUPAC3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol
SMILESCCOc1ccc(-c2cnc(-c3cccc(O)c3)[nH]2)cc1
InChIInChI=1S/C17H16N2O2/c1-2-21-15-8-6-12(7-9-15)16-11-18-17(19-16)13-4-3-5-14(20)10-13/h3-11,20H,2H2,1H3,(H,18,19)
InChIKeyHNFSMELCFOQIAD-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.85
Rot. Bonds4

About 3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol

3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol (PubChem CID 50980518) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol
PubChem CID50980518
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol
SMILESCCOc1ccc(-c2cnc(-c3cccc(O)c3)[nH]2)cc1
InChIInChI=1S/C17H16N2O2/c1-2-21-15-8-6-12(7-9-15)16-11-18-17(19-16)13-4-3-5-14(20)10-13/h3-11,20H,2H2,1H3,(H,18,19)
InChIKeyHNFSMELCFOQIAD-UHFFFAOYSA-N
XLogP3.85
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol?
The IUPAC name of 3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol (CID 50980518) is 3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol?
The canonical SMILES for 3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol is CCOc1ccc(-c2cnc(-c3cccc(O)c3)[nH]2)cc1.
What is the InChIKey of 3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol?
The InChIKey is HNFSMELCFOQIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-21-15-8-6-12(7-9-15)16-11-18-17(19-16)13-4-3-5-14(20)10-13/h3-11,20H,2H2,1H3,(H,18,19).
What are the key properties of 3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol?
3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol has a molecular weight of 280.33 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 50980518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).