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

C30H24O3 — CID 166440080

IUPACdinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate
SMILESC[C@@H](Oc1ccccc1)C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C30H24O3/c1-21(32-24-15-3-2-4-16-24)30(31)33-29(27-19-9-13-22-11-5-7-17-25(22)27)28-20-10-14-23-12-6-8-18-26(23)28/h2-21,29H,1H3/t21-/m1/s1
InChIKeyLHTHHWNLVDKCOZ-OAQYLSRUSA-N
MW432.52 g/mol
LogP7.09
Rot. Bonds6

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

dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate (PubChem CID 166440080) has the molecular formula C30H24O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate.

Molecular Properties

Compound Namedinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate
PubChem CID166440080
Molecular FormulaC30H24O3
Molecular Weight432.52 g/mol
Exact Mass432.17
IUPAC Namedinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate
SMILESC[C@@H](Oc1ccccc1)C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C30H24O3/c1-21(32-24-15-3-2-4-16-24)30(31)33-29(27-19-9-13-22-11-5-7-17-25(22)27)28-20-10-14-23-12-6-8-18-26(23)28/h2-21,29H,1H3/t21-/m1/s1
InChIKeyLHTHHWNLVDKCOZ-OAQYLSRUSA-N
XLogP7.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dinaphthalen-1-ylmethyl (2R)-2-(4-nitrophenoxy)propanoate
CID 166439916
dinaphthalen-1-ylmethyl (2R)-2-phenoxypentanoate
CID 166440086
dinaphthalen-1-ylmethyl (2R)-2-(2-iodophenoxy)propanoate
CID 166440084
dinaphthalen-1-ylmethyl 2-methyl-3-oxobutanoate
CID 102414342
dinaphthalen-1-ylmethyl (2R)-2-[methyl(diphenyl)silyl]propanoate
CID 134958177
dinaphthalen-1-ylmethyl 2-triethylsilylpropanoate
CID 132510045
dinaphthalen-1-ylmethyl (2R)-2-(2-chlorophenyl)propanoate
CID 121278698
dinaphthalen-1-ylmethyl (2R)-2,3-diphenylpropanoate
CID 66739257
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
1-naphthalen-1-ylethyl carbamate
CID 14959373
4-(2-phenoxypropanoyloxy)butyl 2-phenoxypropanoate
CID 58999269
propan-2-yl 2-amino-2-naphthalen-1-ylacetate
CID 139951095

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate?
The IUPAC name of dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate (CID 166440080) is dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate.
What is the SMILES notation for dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate?
The canonical SMILES for dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate is C[C@@H](Oc1ccccc1)C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate?
The InChIKey is LHTHHWNLVDKCOZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H24O3/c1-21(32-24-15-3-2-4-16-24)30(31)33-29(27-19-9-13-22-11-5-7-17-25(22)27)28-20-10-14-23-12-6-8-18-26(23)28/h2-21,29H,1H3/t21-/m1/s1.
What are the key properties of dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate?
dinaphthalen-1-ylmethyl (2R)-2-phenoxypropanoate has a molecular weight of 432.52 g/mol, XLogP of 7.09, 6 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-phenoxypropanoate is sourced from PubChem (CID 166440080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).