(E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one

C36H26O4 — CID 171358471

IUPAC(E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C36H26O4/c37-35(29-17-21-33(22-18-29)39-31-7-3-1-4-8-31)25-15-27-11-13-28(14-12-27)16-26-36(38)30-19-23-34(24-20-30)40-32-9-5-2-6-10-32/h1-26H/b25-15+,26-16+
InChIKeyNRQDWBPMDMCLHB-RYQLWAFASA-N
MW522.60 g/mol
LogP9.06
Rot. Bonds10

About (E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one

(E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one (PubChem CID 171358471) has the molecular formula C36H26O4 and a molecular weight of 522.60 g/mol. Its IUPAC name is (E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one
PubChem CID171358471
Molecular FormulaC36H26O4
Molecular Weight522.60 g/mol
Exact Mass522.18
IUPAC Name(E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C36H26O4/c37-35(29-17-21-33(22-18-29)39-31-7-3-1-4-8-31)25-15-27-11-13-28(14-12-27)16-26-36(38)30-19-23-34(24-20-30)40-32-9-5-2-6-10-32/h1-26H/b25-15+,26-16+
InChIKeyNRQDWBPMDMCLHB-RYQLWAFASA-N
XLogP9.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.60
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
CID 6440216
(E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 5355679
(E)-3-[4-(4-phenoxybenzoyl)phenyl]prop-2-enoic acid
CID 11501077
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
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
3-(4-phenoxyphenyl)prop-2-enoyl chloride
CID 142711517
sodium (Z)-3-oxo-3-(4-phenoxyphenyl)prop-1-en-1-olate
CID 155926154
(E)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725
2-[4-(3-phenylprop-2-enoyl)phenoxy]propanedioic acid
CID 70588665
(Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one
CID 92531173
4-(3-oxo-3-phenylprop-1-enyl)benzoic acid;hydrochloride
CID 70593745

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one (CID 171358471) is (E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one?
The InChIKey is NRQDWBPMDMCLHB-RYQLWAFASA-N. The full InChI is InChI=1S/C36H26O4/c37-35(29-17-21-33(22-18-29)39-31-7-3-1-4-8-31)25-15-27-11-13-28(14-12-27)16-26-36(38)30-19-23-34(24-20-30)40-32-9-5-2-6-10-32/h1-26H/b25-15+,26-16+.
What are the key properties of (E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one?
(E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one has a molecular weight of 522.60 g/mol, XLogP of 9.06, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 171358471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).