(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one

C21H16O2 — CID 6440216

IUPAC(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Oc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H16O2/c22-21(18-7-3-1-4-8-18)16-13-17-11-14-20(15-12-17)23-19-9-5-2-6-10-19/h1-16H/b16-13+
InChIKeyDKMFEJXHIMRYAL-DTQAZKPQSA-N
MW300.36 g/mol
LogP5.38
Rot. Bonds5

About (E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one

(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one (PubChem CID 6440216) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
PubChem CID6440216
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Oc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H16O2/c22-21(18-7-3-1-4-8-18)16-13-17-11-14-20(15-12-17)23-19-9-5-2-6-10-19/h1-16H/b16-13+
InChIKeyDKMFEJXHIMRYAL-DTQAZKPQSA-N
XLogP5.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 67385176
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one
CID 92531173
3-(4-phenoxyphenyl)prop-2-enoyl chloride
CID 142711517
(E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid
CID 11501077
3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one
CID 50742117
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725
3-[2,3-dicarboxy-6-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]phenyl]-4-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]phthalic acid
CID 87464391
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one (CID 6440216) is (E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one is O=C(/C=C/c1ccc(Oc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is DKMFEJXHIMRYAL-DTQAZKPQSA-N. The full InChI is InChI=1S/C21H16O2/c22-21(18-7-3-1-4-8-18)16-13-17-11-14-20(15-12-17)23-19-9-5-2-6-10-19/h1-16H/b16-13+.
What are the key properties of (E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one?
(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 300.36 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 6440216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).