(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate

C20H16O3 — CID 888123

IUPAC(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H16O3/c21-19(14-23-20(22)12-15-6-2-1-3-7-15)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13H,12,14H2
InChIKeyRFDZHVLZJXQTBR-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.81
Rot. Bonds5

About (2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate

(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate (PubChem CID 888123) has the molecular formula C20H16O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is (2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate.

Molecular Properties

Compound Name(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate
PubChem CID888123
Molecular FormulaC20H16O3
Molecular Weight304.34 g/mol
Exact Mass304.11
IUPAC Name(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H16O3/c21-19(14-23-20(22)12-15-6-2-1-3-7-15)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13H,12,14H2
InChIKeyRFDZHVLZJXQTBR-UHFFFAOYSA-N
XLogP3.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-phenylphenyl)acetate
CID 7704319
bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium
CID 174874865
[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
CID 7698509
[(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate
CID 88860851
(2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate
CID 57379444
(2-naphthalen-2-yl-2-oxoethyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 19132649
(2-naphthalen-2-yl-2-oxoethyl) 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602774
ethyl 2-[4-[(3-naphthalen-2-yl-3-oxopropyl)amino]phenyl]acetate
CID 17138723
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
phenacyl 2-naphthalen-2-ylsulfanylacetate
CID 2380984
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
3-benzylimino-1-naphthalen-2-ylpropan-1-one
CID 91463586

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate?
The IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate (CID 888123) is (2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate.
What is the SMILES notation for (2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate?
The canonical SMILES for (2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate is O=C(Cc1ccccc1)OCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate?
The InChIKey is RFDZHVLZJXQTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c21-19(14-23-20(22)12-15-6-2-1-3-7-15)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13H,12,14H2.
What are the key properties of (2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate?
(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate has a molecular weight of 304.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate is sourced from PubChem (CID 888123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).