[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate

C33H24O6 — CID 59860900

IUPAC[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)Oc1cc(OC(=O)/C=C/c2ccccc2)cc(OC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C33H24O6/c34-31(19-16-25-10-4-1-5-11-25)37-28-22-29(38-32(35)20-17-26-12-6-2-7-13-26)24-30(23-28)39-33(36)21-18-27-14-8-3-9-15-27/h1-24H/b19-16+,20-17+,21-18+
InChIKeySELAKJUYQBJLPY-VNQRMFGESA-N
MW516.55 g/mol
LogP6.54
Rot. Bonds9

About [3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate

[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate (PubChem CID 59860900) has the molecular formula C33H24O6 and a molecular weight of 516.55 g/mol. Its IUPAC name is [3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
PubChem CID59860900
Molecular FormulaC33H24O6
Molecular Weight516.55 g/mol
Exact Mass516.16
IUPAC Name[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)Oc1cc(OC(=O)/C=C/c2ccccc2)cc(OC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C33H24O6/c34-31(19-16-25-10-4-1-5-11-25)37-28-22-29(38-32(35)20-17-26-12-6-2-7-13-26)24-30(23-28)39-33(36)21-18-27-14-8-3-9-15-27/h1-24H/b19-16+,20-17+,21-18+
InChIKeySELAKJUYQBJLPY-VNQRMFGESA-N
XLogP6.54
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.55
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3,5-diaminophenyl) 3-phenylprop-2-enoate
CID 69435702
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
(3,4,5-trimethoxyphenyl) 3-phenylprop-2-enoate
CID 71323634
(4-aminophenyl) (E)-3-phenylprop-2-enoate
CID 87778224
(4-bromophenyl) 3-phenylprop-2-enoate
CID 759220
3-[(E)-3-phenylprop-2-enoyl]oxybenzoic acid
CID 54854728
[4-[(E)-3-oxobut-1-enyl]phenyl] (Z)-3-phenylprop-2-enoate
CID 92529146
(4-bromo-3-methylphenyl) (E)-3-phenylprop-2-enoate
CID 922289
(2,3,4,5,6-pentafluorophenyl) 3-phenylprop-2-enoate
CID 72966102
(2,3,4,5,6-pentafluorophenyl) (E)-3-phenylprop-2-enoate
CID 11449832

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate (CID 59860900) is [3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)Oc1cc(OC(=O)/C=C/c2ccccc2)cc(OC(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of [3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate?
The InChIKey is SELAKJUYQBJLPY-VNQRMFGESA-N. The full InChI is InChI=1S/C33H24O6/c34-31(19-16-25-10-4-1-5-11-25)37-28-22-29(38-32(35)20-17-26-12-6-2-7-13-26)24-30(23-28)39-33(36)21-18-27-14-8-3-9-15-27/h1-24H/b19-16+,20-17+,21-18+.
What are the key properties of [3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate?
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate has a molecular weight of 516.55 g/mol, XLogP of 6.54, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 59860900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).