4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal

C19H18N2O2 — CID 91226186

IUPAC4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal
SMILESCc1ccc(/C=C/C=O)cc1.Oc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C10H10O.C9H8N2O/c1-9-4-6-10(7-5-9)3-2-8-11;12-9-3-1-8(2-4-9)11-6-5-10-7-11/h2-8H,1H3;1-7,12H/b3-2+;
InChIKeyRQIWTKVKCUELOY-SQQVDAMQSA-N
MW306.37 g/mol
LogP3.79
Rot. Bonds3

About 4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal

4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal (PubChem CID 91226186) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal.

Molecular Properties

Compound Name4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal
PubChem CID91226186
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal
SMILESCc1ccc(/C=C/C=O)cc1.Oc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C10H10O.C9H8N2O/c1-9-4-6-10(7-5-9)3-2-8-11;12-9-3-1-8(2-4-9)11-6-5-10-7-11/h2-8H,1H3;1-7,12H/b3-2+;
InChIKeyRQIWTKVKCUELOY-SQQVDAMQSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-hydroxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 172994200
(Z)-3-(4-hydroxyphenyl)prop-2-enal
CID 57400876
3-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 4961802
(E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol
CID 22631238
(E)-4-(4-imidazol-1-ylphenyl)but-3-enoic acid
CID 15045263
(4E)-5-(4-imidazol-1-ylphenyl)-1,1-bis(methylsulfanyl)penta-1,4-dien-3-one
CID 71462183
(E)-4-(4-imidazol-1-ylphenyl)-3-methylbut-3-en-2-one
CID 103090983
3-(4-imidazol-1-ylphenyl)prop-2-enenitrile
CID 76913866
(E)-3-(4-tert-butylphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 19541225
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
4-[(4Z)-4-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
CID 143349105
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal?
The IUPAC name of 4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal (CID 91226186) is 4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal.
What is the SMILES notation for 4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal?
The canonical SMILES for 4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal is Cc1ccc(/C=C/C=O)cc1.Oc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal?
The InChIKey is RQIWTKVKCUELOY-SQQVDAMQSA-N. The full InChI is InChI=1S/C10H10O.C9H8N2O/c1-9-4-6-10(7-5-9)3-2-8-11;12-9-3-1-8(2-4-9)11-6-5-10-7-11/h2-8H,1H3;1-7,12H/b3-2+;.
What are the key properties of 4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal?
4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal has a molecular weight of 306.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal is sourced from PubChem (CID 91226186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).