[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate

C23H22O3 — CID 7889553

IUPAC[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
SMILESCCc1ccc(C(=O)[C@@H](C)OC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H22O3/c1-3-17-11-13-19(14-12-17)23(25)16(2)26-22(24)15-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,16H,3,15H2,1-2H3/t16-/m1/s1
InChIKeyDHOVWFQQPWTFAB-MRXNPFEDSA-N
MW346.43 g/mol
LogP4.76
Rot. Bonds6

About [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate

[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate (PubChem CID 7889553) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
PubChem CID7889553
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
SMILESCCc1ccc(C(=O)[C@@H](C)OC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H22O3/c1-3-17-11-13-19(14-12-17)23(25)16(2)26-22(24)15-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,16H,3,15H2,1-2H3/t16-/m1/s1
InChIKeyDHOVWFQQPWTFAB-MRXNPFEDSA-N
XLogP4.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786565
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8984725
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7698131
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783196
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415026
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175247
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
CID 46790161
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate
CID 4985443
4-O-[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239598
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
CID 7704381
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785197

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate?
The IUPAC name of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate (CID 7889553) is [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate is CCc1ccc(C(=O)[C@@H](C)OC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate?
The InChIKey is DHOVWFQQPWTFAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22O3/c1-3-17-11-13-19(14-12-17)23(25)16(2)26-22(24)15-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,16H,3,15H2,1-2H3/t16-/m1/s1.
What are the key properties of [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate?
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate has a molecular weight of 346.43 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 7889553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).