benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate

C32H26O4 — CID 153297044

IUPACbenzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate
SMILESO=C(Cc1ccc2ccccc2c1)O[C@H](Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1
InChIInChI=1S/C32H26O4/c33-31(21-25-15-17-27-11-5-7-13-29(27)19-25)36-30(32(34)35-22-23-8-2-1-3-9-23)20-24-14-16-26-10-4-6-12-28(26)18-24/h1-19,30H,20-22H2/t30-/m1/s1
InChIKeySRCYNNODJIUVLR-SSEXGKCCSA-N
MW474.56 g/mol
LogP6.43
Rot. Bonds8

About benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate

benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate (PubChem CID 153297044) has the molecular formula C32H26O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate.

Molecular Properties

Compound Namebenzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate
PubChem CID153297044
Molecular FormulaC32H26O4
Molecular Weight474.56 g/mol
Exact Mass474.18
IUPAC Namebenzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate
SMILESO=C(Cc1ccc2ccccc2c1)O[C@H](Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1
InChIInChI=1S/C32H26O4/c33-31(21-25-15-17-27-11-5-7-13-29(27)19-25)36-30(32(34)35-22-23-8-2-1-3-9-23)20-24-14-16-26-10-4-6-12-28(26)18-24/h1-19,30H,20-22H2/t30-/m1/s1
InChIKeySRCYNNODJIUVLR-SSEXGKCCSA-N
XLogP6.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate
CID 153297023
[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 152848453
[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate
CID 158858330
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-propanoyloxypropanoate
CID 123604883
benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate
CID 54235669
ethyl 3-phenyl-2-(2-phenylacetyl)oxypropanoate
CID 134972816
3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 3288957
benzyl (2S)-2-acetyloxy-3-(3,4-diacetyloxyphenyl)propanoate
CID 141329588
iodo 2-naphthalen-2-ylacetate
CID 129274840
CID 162695032
CID 162695032
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 86751289
tris[(2-naphthalen-2-ylacetyl)oxy]stannyl 2-naphthalen-2-ylacetate
CID 141032751

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate?
The IUPAC name of benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate (CID 153297044) is benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate.
What is the SMILES notation for benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate?
The canonical SMILES for benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate is O=C(Cc1ccc2ccccc2c1)O[C@H](Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate?
The InChIKey is SRCYNNODJIUVLR-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H26O4/c33-31(21-25-15-17-27-11-5-7-13-29(27)19-25)36-30(32(34)35-22-23-8-2-1-3-9-23)20-24-14-16-26-10-4-6-12-28(26)18-24/h1-19,30H,20-22H2/t30-/m1/s1.
What are the key properties of benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate?
benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate has a molecular weight of 474.56 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate is sourced from PubChem (CID 153297044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).