dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate

C32H28O3 — CID 166440086

IUPACdinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate
SMILESCCC[C@@H](Oc1ccccc1)C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C32H28O3/c1-2-12-30(34-25-17-4-3-5-18-25)32(33)35-31(28-21-10-15-23-13-6-8-19-26(23)28)29-22-11-16-24-14-7-9-20-27(24)29/h3-11,13-22,30-31H,2,12H2,1H3/t30-/m1/s1
InChIKeyNLSSBRWFHMPMCO-SSEXGKCCSA-N
MW460.57 g/mol
LogP7.87
Rot. Bonds8

About dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate

dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate (PubChem CID 166440086) has the molecular formula C32H28O3 and a molecular weight of 460.57 g/mol. Its IUPAC name is dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate.

Molecular Properties

Compound Namedinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate
PubChem CID166440086
Molecular FormulaC32H28O3
Molecular Weight460.57 g/mol
Exact Mass460.20
IUPAC Namedinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate
SMILESCCC[C@@H](Oc1ccccc1)C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C32H28O3/c1-2-12-30(34-25-17-4-3-5-18-25)32(33)35-31(28-21-10-15-23-13-6-8-19-26(23)28)29-22-11-16-24-14-7-9-20-27(24)29/h3-11,13-22,30-31H,2,12H2,1H3/t30-/m1/s1
InChIKeyNLSSBRWFHMPMCO-SSEXGKCCSA-N
XLogP7.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate
CID 166440080
2-phenoxypentaneperoxoic acid
CID 18459699
dinaphthalen-1-ylmethyl (2S)-2-pyrrol-1-ylpentanoate
CID 118288318
dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate
CID 132510045
dinaphthalen-1-ylmethyl (2R)-2-(2-iodophenoxy)propanoate
CID 166440084
dinaphthalen-1-ylmethyl 2-methyl-3-oxobutanoate
CID 102414342
sodium 2-phenoxypentanoate
CID 59946136
dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate
CID 134958177
dinaphthalen-1-ylmethyl (2R)-2-(4-nitrophenoxy)propanoate
CID 166439916
dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate
CID 121278698
2-naphthalen-1-ylpentanoate
CID 154825316
dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate
CID 66739257

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate?
The IUPAC name of dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate (CID 166440086) is dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate.
What is the SMILES notation for dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate?
The canonical SMILES for dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate is CCC[C@@H](Oc1ccccc1)C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate?
The InChIKey is NLSSBRWFHMPMCO-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H28O3/c1-2-12-30(34-25-17-4-3-5-18-25)32(33)35-31(28-21-10-15-23-13-6-8-19-26(23)28)29-22-11-16-24-14-7-9-20-27(24)29/h3-11,13-22,30-31H,2,12H2,1H3/t30-/m1/s1.
What are the key properties of dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate?
dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate has a molecular weight of 460.57 g/mol, XLogP of 7.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate is sourced from PubChem (CID 166440086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).