[(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate

C30H24O4 — CID 138534628

IUPAC[(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OC[C@@H](OC(=O)/C=C/c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C30H24O4/c31-29(19-15-23-9-3-1-4-10-23)33-22-28(27-18-17-25-13-7-8-14-26(25)21-27)34-30(32)20-16-24-11-5-2-6-12-24/h1-21,28H,22H2/b19-15+,20-16+/t28-/m1/s1
InChIKeyACUQKDKOMUQZEA-GOXRUIOZSA-N
MW448.52 g/mol
LogP6.39
Rot. Bonds8

About [(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate

[(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate (PubChem CID 138534628) has the molecular formula C30H24O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is [(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate
PubChem CID138534628
Molecular FormulaC30H24O4
Molecular Weight448.52 g/mol
Exact Mass448.17
IUPAC Name[(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OC[C@@H](OC(=O)/C=C/c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C30H24O4/c31-29(19-15-23-9-3-1-4-10-23)33-22-28(27-18-17-25-13-7-8-14-26(25)21-27)34-30(32)20-16-24-11-5-2-6-12-24/h1-21,28H,22H2/b19-15+,20-16+/t28-/m1/s1
InChIKeyACUQKDKOMUQZEA-GOXRUIOZSA-N
XLogP6.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.39
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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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate (CID 138534628) is [(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)OC[C@@H](OC(=O)/C=C/c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of [(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate?
The InChIKey is ACUQKDKOMUQZEA-GOXRUIOZSA-N. The full InChI is InChI=1S/C30H24O4/c31-29(19-15-23-9-3-1-4-10-23)33-22-28(27-18-17-25-13-7-8-14-26(25)21-27)34-30(32)20-16-24-11-5-2-6-12-24/h1-21,28H,22H2/b19-15+,20-16+/t28-/m1/s1.
What are the key properties of [(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate?
[(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate has a molecular weight of 448.52 g/mol, XLogP of 6.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-naphthalen-2-yl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 138534628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).