(E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol

C12H12N2O — CID 22631238

IUPAC(E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol
SMILESOC/C=C/c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C12H12N2O/c15-9-1-2-11-3-5-12(6-4-11)14-8-7-13-10-14/h1-8,10,15H,9H2/b2-1+
InChIKeyCQNCKAXKYYLNCR-OWOJBTEDSA-N
MW200.24 g/mol
LogP1.88
Rot. Bonds3

About (E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol

(E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol (PubChem CID 22631238) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol
PubChem CID22631238
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol
SMILESOC/C=C/c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C12H12N2O/c15-9-1-2-11-3-5-12(6-4-11)14-8-7-13-10-14/h1-8,10,15H,9H2/b2-1+
InChIKeyCQNCKAXKYYLNCR-OWOJBTEDSA-N
XLogP1.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-(4-imidazol-1-ylphenyl)but-3-enoic acid
CID 15045263
3-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 4961802
3-(4-imidazol-1-ylphenyl)prop-2-enenitrile
CID 76913866
(Z)-3-pyridin-4-ylprop-2-en-1-ol
CID 45079749
(E)-3-(4-hydroxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 172994200
(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
4-imidazol-1-ylphenol;(E)-3-(4-methylphenyl)prop-2-enal
CID 91226186
2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine
CID 72730801
2-(4-imidazol-1-ylphenyl)propan-1-ol
CID 117290878
(4-imidazol-1-ylphenyl)arsane
CID 173134933
(E)-3-(4-tert-butylphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 19541225

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol (CID 22631238) is (E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol is OC/C=C/c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol?
The InChIKey is CQNCKAXKYYLNCR-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H12N2O/c15-9-1-2-11-3-5-12(6-4-11)14-8-7-13-10-14/h1-8,10,15H,9H2/b2-1+.
What are the key properties of (E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol?
(E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol has a molecular weight of 200.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 22631238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).