(E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one

C18H14N2O2 — CID 18782918

IUPAC(E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ncc[nH]1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H14N2O2/c21-17(10-11-18-19-12-13-20-18)14-6-8-16(9-7-14)22-15-4-2-1-3-5-15/h1-13H,(H,19,20)/b11-10+
InChIKeyMEOKSKYDYWAPMX-ZHACJKMWSA-N
MW290.32 g/mol
LogP4.10
Rot. Bonds5

About (E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one

(E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one (PubChem CID 18782918) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one
PubChem CID18782918
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ncc[nH]1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H14N2O2/c21-17(10-11-18-19-12-13-20-18)14-6-8-16(9-7-14)22-15-4-2-1-3-5-15/h1-13H,(H,19,20)/b11-10+
InChIKeyMEOKSKYDYWAPMX-ZHACJKMWSA-N
XLogP4.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one
CID 57095346
(E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one
CID 171358471
(E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 5355679
(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
CID 6440216
sodium (Z)-3-oxo-3-(4-phenoxyphenyl)prop-1-en-1-olate
CID 155926154
(Z)-1-[4-(difluoromethylsulfonyl)-3-methoxyphenyl]-3-(1H-imidazol-2-yl)prop-2-en-1-one
CID 97359147
(E)-1-(1H-imidazol-2-yl)-3-phenylprop-2-en-1-one
CID 18549682
1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 67385176
1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one
CID 175426617
4-phenoxybenzoic acid;hydrochloride
CID 70385625
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
2-[4-[(Z)-3-phenylprop-2-enoyl]phenoxy]acetonitrile
CID 92909370

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one (CID 18782918) is (E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one is O=C(/C=C/c1ncc[nH]1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one?
The InChIKey is MEOKSKYDYWAPMX-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-17(10-11-18-19-12-13-20-18)14-6-8-16(9-7-14)22-15-4-2-1-3-5-15/h1-13H,(H,19,20)/b11-10+.
What are the key properties of (E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one?
(E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one has a molecular weight of 290.32 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 18782918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).