1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one

C15H11N3O2 — CID 2840008

IUPAC1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(N2N=N2)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H11N3O2/c19-14-8-4-12(5-9-14)15(20)10-3-11-1-6-13(7-2-11)18-16-17-18/h1-10,19H
InChIKeyHFSGSBOUBBBVNI-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.39
Rot. Bonds4

About 1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one

1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one (PubChem CID 2840008) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one
PubChem CID2840008
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(N2N=N2)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H11N3O2/c19-14-8-4-12(5-9-14)15(20)10-3-11-1-6-13(7-2-11)18-16-17-18/h1-10,19H
InChIKeyHFSGSBOUBBBVNI-UHFFFAOYSA-N
XLogP3.39
TPSA65.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-methoxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one
CID 6000631
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
(E)-3-(4-hydroxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 172994200
(E)-1-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 89136954
(E)-1-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6144622
1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 86039133
3-(4-hydroxyphenyl)-1-(1-hydroxypyridin-1-ium-4-yl)prop-2-en-1-one
CID 126959177
[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonic acid
CID 87534128
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl] methanesulfonate
CID 74381218
N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 68660252
(E)-1-(4-hydroxyphenyl)-3-[4-(pyridin-4-ylmethoxy)phenyl]prop-2-en-1-one
CID 46486412

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one?
The IUPAC name of 1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one (CID 2840008) is 1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one is O=C(C=Cc1ccc(N2N=N2)cc1)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one?
The InChIKey is HFSGSBOUBBBVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-14-8-4-12(5-9-14)15(20)10-3-11-1-6-13(7-2-11)18-16-17-18/h1-10,19H.
What are the key properties of 1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one?
1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one has a molecular weight of 265.27 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 2840008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).