1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol

C14H14N2O — CID 70399267

IUPAC1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol
SMILESC=CC(O)c1ccccc1C=Cn1ccnc1
InChIInChI=1S/C14H14N2O/c1-2-14(17)13-6-4-3-5-12(13)7-9-16-10-8-15-11-16/h2-11,14,17H,1H2
InChIKeyVUPYBVGSMKWDOV-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.73
Rot. Bonds4

About 1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol

1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol (PubChem CID 70399267) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol
PubChem CID70399267
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol
SMILESC=CC(O)c1ccccc1C=Cn1ccnc1
InChIInChI=1S/C14H14N2O/c1-2-14(17)13-6-4-3-5-12(13)7-9-16-10-8-15-11-16/h2-11,14,17H,1H2
InChIKeyVUPYBVGSMKWDOV-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol?
The IUPAC name of 1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol (CID 70399267) is 1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for 1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol is C=CC(O)c1ccccc1C=Cn1ccnc1.
What is the InChIKey of 1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol?
The InChIKey is VUPYBVGSMKWDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-14(17)13-6-4-3-5-12(13)7-9-16-10-8-15-11-16/h2-11,14,17H,1H2.
What are the key properties of 1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol?
1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol has a molecular weight of 226.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-imidazol-1-ylethenyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 70399267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).