methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate

C20H18O3 — CID 20726922

IUPACmethyl 2-naphthalen-1-yl-2-phenylmethoxyacetate
SMILESCOC(=O)C(OCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H18O3/c1-22-20(21)19(23-14-15-8-3-2-4-9-15)18-13-7-11-16-10-5-6-12-17(16)18/h2-13,19H,14H2,1H3
InChIKeyWZTKMKOYKOSWFF-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.27
Rot. Bonds5

About methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate

methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate (PubChem CID 20726922) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate.

Molecular Properties

Compound Namemethyl 2-naphthalen-1-yl-2-phenylmethoxyacetate
PubChem CID20726922
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Namemethyl 2-naphthalen-1-yl-2-phenylmethoxyacetate
SMILESCOC(=O)C(OCc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H18O3/c1-22-20(21)19(23-14-15-8-3-2-4-9-15)18-13-7-11-16-10-5-6-12-17(16)18/h2-13,19H,14H2,1H3
InChIKeyWZTKMKOYKOSWFF-UHFFFAOYSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
benzyl (3R)-3-naphthalen-1-ylbutanoate
CID 170621952
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
CID 12965597
methyl 3-(benzylcarbamoylamino)-2-naphthalen-1-ylpropanoate
CID 19963470
methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
CID 19963460
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
CID 116857163
methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate
CID 102059602
methyl 3,3,3-trichloro-2-naphthalen-1-ylpropanoate
CID 174899487
methyl (2S,3S)-3-hydroxy-3-naphthalen-1-yl-2-phenylpropanoate
CID 10852177
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxy-2-naphthalen-1-ylacetamide
CID 101161983

Frequently Asked Questions

What is the IUPAC name of methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate?
The IUPAC name of methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate (CID 20726922) is methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate.
What is the SMILES notation for methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate?
The canonical SMILES for methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate is COC(=O)C(OCc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate?
The InChIKey is WZTKMKOYKOSWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-22-20(21)19(23-14-15-8-3-2-4-9-15)18-13-7-11-16-10-5-6-12-17(16)18/h2-13,19H,14H2,1H3.
What are the key properties of methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate?
methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate has a molecular weight of 306.36 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate is sourced from PubChem (CID 20726922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).