dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate

C36H28O2 — CID 66739257

IUPACdinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate
SMILESO=C(OC(c1cccc2ccccc12)c1cccc2ccccc12)[C@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C36H28O2/c37-36(34(29-15-5-2-6-16-29)25-26-13-3-1-4-14-26)38-35(32-23-11-19-27-17-7-9-21-30(27)32)33-24-12-20-28-18-8-10-22-31(28)33/h1-24,34-35H,25H2/t34-/m1/s1
InChIKeyXXIHATHFUZMYHX-UUWRZZSWSA-N
MW492.62 g/mol
LogP8.65
Rot. Bonds7

About dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate

dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate (PubChem CID 66739257) has the molecular formula C36H28O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate.

Molecular Properties

Compound Namedinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate
PubChem CID66739257
Molecular FormulaC36H28O2
Molecular Weight492.62 g/mol
Exact Mass492.21
IUPAC Namedinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate
SMILESO=C(OC(c1cccc2ccccc12)c1cccc2ccccc12)[C@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C36H28O2/c37-36(34(29-15-5-2-6-16-29)25-26-13-3-1-4-14-26)38-35(32-23-11-19-27-17-7-9-21-30(27)32)33-24-12-20-28-18-8-10-22-31(28)33/h1-24,34-35H,25H2/t34-/m1/s1
InChIKeyXXIHATHFUZMYHX-UUWRZZSWSA-N
XLogP8.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-1-yl-3-phenylpropanamide
CID 141457606
dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate
CID 134958177
dinaphthalen-1-ylmethyl 2-methyl-3-oxobutanoate
CID 102414342
dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate
CID 166440080
dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate
CID 132510045
[naphthalen-1-yl(phenyl)methyl] disulfanylformate
CID 163815998
dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
CID 102204031
(2R)-N-(2-naphthalen-1-yloxyethyl)-2,3-diphenylpropanamide
CID 27154473
(2S)-2,3-diphenylpropanoate
CID 6993748
(2S)-2,3-diphenylpropanoic acid
CID 737125
dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate
CID 121278698
(2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid
CID 94734384

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate?
The IUPAC name of dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate (CID 66739257) is dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate.
What is the SMILES notation for dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate?
The canonical SMILES for dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate is O=C(OC(c1cccc2ccccc12)c1cccc2ccccc12)[C@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate?
The InChIKey is XXIHATHFUZMYHX-UUWRZZSWSA-N. The full InChI is InChI=1S/C36H28O2/c37-36(34(29-15-5-2-6-16-29)25-26-13-3-1-4-14-26)38-35(32-23-11-19-27-17-7-9-21-30(27)32)33-24-12-20-28-18-8-10-22-31(28)33/h1-24,34-35H,25H2/t34-/m1/s1.
What are the key properties of dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate?
dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate has a molecular weight of 492.62 g/mol, XLogP of 8.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate is sourced from PubChem (CID 66739257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).