[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate

C33H26O5 — CID 153297023

IUPAC[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate
SMILESO=C(O[C@H](Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C33H26O5/c34-32(29-17-9-10-18-30(29)37-28-15-5-2-6-16-28)38-31(33(35)36-23-24-11-3-1-4-12-24)22-25-19-20-26-13-7-8-14-27(26)21-25/h1-21,31H,22-23H2/t31-/m1/s1
InChIKeyVMXQIWCWLDMEOP-WJOKGBTCSA-N
MW502.57 g/mol
LogP7.14
Rot. Bonds9

About [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate

[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate (PubChem CID 153297023) has the molecular formula C33H26O5 and a molecular weight of 502.57 g/mol. Its IUPAC name is [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate
PubChem CID153297023
Molecular FormulaC33H26O5
Molecular Weight502.57 g/mol
Exact Mass502.18
IUPAC Name[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate
SMILESO=C(O[C@H](Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C33H26O5/c34-32(29-17-9-10-18-30(29)37-28-15-5-2-6-16-28)38-31(33(35)36-23-24-11-3-1-4-12-24)22-25-19-20-26-13-7-8-14-27(26)21-25/h1-21,31H,22-23H2/t31-/m1/s1
InChIKeyVMXQIWCWLDMEOP-WJOKGBTCSA-N
XLogP7.14
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2R)-3-naphthalen-2-yl-2-(2-naphthalen-2-ylacetyl)oxypropanoate
CID 153297044
[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-methyl-9H-fluorene-9-carboxylate
CID 158858330
[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 152848453
benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate
CID 54235669
benzyl (2S)-2-acetyloxy-3-(3,4-diacetyloxyphenyl)propanoate
CID 141329588
[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498474
3-naphthalen-2-yl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 3288957
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 7760769
(2R)-2-(3,5-dimethylbenzoyl)oxy-3-naphthalen-2-ylpropanoic acid
CID 152927678
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-propanoyloxypropanoate
CID 123604883
(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid
CID 100545011
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 86751289

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate?
The IUPAC name of [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate (CID 153297023) is [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate.
What is the SMILES notation for [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate?
The canonical SMILES for [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate is O=C(O[C@H](Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1)c1ccccc1Oc1ccccc1.
What is the InChIKey of [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate?
The InChIKey is VMXQIWCWLDMEOP-WJOKGBTCSA-N. The full InChI is InChI=1S/C33H26O5/c34-32(29-17-9-10-18-30(29)37-28-15-5-2-6-16-28)38-31(33(35)36-23-24-11-3-1-4-12-24)22-25-19-20-26-13-7-8-14-27(26)21-25/h1-21,31H,22-23H2/t31-/m1/s1.
What are the key properties of [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate?
[(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate has a molecular weight of 502.57 g/mol, XLogP of 7.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-naphthalen-2-yl-1-oxo-1-phenylmethoxypropan-2-yl] 2-phenoxybenzoate is sourced from PubChem (CID 153297023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).