(E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one

C15H12OSe — CID 175705929

IUPAC(E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/C1C=CC=CC1=[Se])c1ccccc1
InChIInChI=1S/C15H12OSe/c16-14(12-6-2-1-3-7-12)11-10-13-8-4-5-9-15(13)17/h1-11,13H/b11-10+
InChIKeyVIFQAZWMJHAMLU-ZHACJKMWSA-N
MW287.22 g/mol
LogP2.51
Rot. Bonds3

About (E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one

(E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one (PubChem CID 175705929) has the molecular formula C15H12OSe and a molecular weight of 287.22 g/mol. Its IUPAC name is (E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one
PubChem CID175705929
Molecular FormulaC15H12OSe
Molecular Weight287.22 g/mol
Exact Mass288.01
IUPAC Name(E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/C1C=CC=CC1=[Se])c1ccccc1
InChIInChI=1S/C15H12OSe/c16-14(12-6-2-1-3-7-12)11-10-13-8-4-5-9-15(13)17/h1-11,13H/b11-10+
InChIKeyVIFQAZWMJHAMLU-ZHACJKMWSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methylcyclohexa-2,4-dien-1-yl)-1-phenylprop-2-en-1-one
CID 150975745
3-(6-aminocyclohexa-2,4-dien-1-yl)-1-phenylprop-2-en-1-one
CID 70580386
3-cyclopropyl-1-phenylprop-2-en-1-one
CID 74377261
acetic acid;3-cyclohexa-2,4-dien-1-yl-1-phenylprop-2-en-1-one
CID 175178095
(E)-3-[4,4-bis(dimethylamino)cyclohexa-2,5-dien-1-yl]-1-phenylprop-2-en-1-one
CID 22239260
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891
3-cyclohepta-1,4,6-trien-1-yl-1-phenylprop-2-en-1-one
CID 123267826
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(Z)-1-phenyl-3-(N-phenylanilino)prop-2-en-1-one
CID 54601920

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one (CID 175705929) is (E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one is O=C(/C=C/C1C=CC=CC1=[Se])c1ccccc1.
What is the InChIKey of (E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one?
The InChIKey is VIFQAZWMJHAMLU-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H12OSe/c16-14(12-6-2-1-3-7-12)11-10-13-8-4-5-9-15(13)17/h1-11,13H/b11-10+.
What are the key properties of (E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one?
(E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one has a molecular weight of 287.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-3-(6-selanylidenecyclohexa-2,4-dien-1-yl)prop-2-en-1-one is sourced from PubChem (CID 175705929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).