[(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate

C23H24O6 — CID 93483150

IUPAC[(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OC[C@H](C)OC(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24O6/c1-17(29-23(25)15-9-19-6-12-21(27-3)13-7-19)16-28-22(24)14-8-18-4-10-20(26-2)11-5-18/h4-15,17H,16H2,1-3H3/b14-8+,15-9+/t17-/m0/s1
InChIKeyHKNBZMRXMRPLMG-PDPFPRFPSA-N
MW396.44 g/mol
LogP3.91
Rot. Bonds9

About [(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate

[(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 93483150) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is [(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID93483150
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name[(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OC[C@H](C)OC(=O)/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24O6/c1-17(29-23(25)15-9-19-6-12-21(27-3)13-7-19)16-28-22(24)14-8-18-4-10-20(26-2)11-5-18/h4-15,17H,16H2,1-3H3/b14-8+,15-9+/t17-/m0/s1
InChIKeyHKNBZMRXMRPLMG-PDPFPRFPSA-N
XLogP3.91
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(E)-3-[4-(hydroxymethyl)phenyl]prop-2-enoyl]oxypropoxy]ethyl-[2-[2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropoxy]ethyl]-dimethylazanium
CID 153278287
[(2S)-2-(4-methoxyphenyl)-2-(3-phenylprop-2-enoyloxy)ethyl] (E)-3-phenylprop-2-enoate
CID 130362732
4-[3-(4-methoxyphenyl)prop-2-enoyloxy]but-2-ynyl 3-(4-methoxyphenyl)prop-2-enoate
CID 5113782
methoxycarbonyl 3-(4-methoxyphenyl)prop-2-enoate
CID 54117428
2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyethyl 2-methylbutanoate
CID 168837457
1-methoxypropan-2-yl (E)-3-phenylprop-2-enoate
CID 175028652
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
6-methylheptyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 22341896
[(2S)-2-methylbutyl] 3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate
CID 2735084
2-methylbutyl (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate
CID 5379338

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of [(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate (CID 93483150) is [(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(/C=C/C(=O)OC[C@H](C)OC(=O)/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of [(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is HKNBZMRXMRPLMG-PDPFPRFPSA-N. The full InChI is InChI=1S/C23H24O6/c1-17(29-23(25)15-9-19-6-12-21(27-3)13-7-19)16-28-22(24)14-8-18-4-10-20(26-2)11-5-18/h4-15,17H,16H2,1-3H3/b14-8+,15-9+/t17-/m0/s1.
What are the key properties of [(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate?
[(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 396.44 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 93483150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).