(2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate

C17H18O4 — CID 57379444

IUPAC(2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate
SMILESCC(C)[C@H](O)C(=O)OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H18O4/c1-11(2)16(19)17(20)21-10-15(18)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,16,19H,10H2,1-2H3/t16-/m0/s1
InChIKeyYAECODBDEDDZSA-INIZCTEOSA-N
MW286.33 g/mol
LogP2.58
Rot. Bonds5

About (2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate

(2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate (PubChem CID 57379444) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Name(2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate
PubChem CID57379444
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate
SMILESCC(C)[C@H](O)C(=O)OCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H18O4/c1-11(2)16(19)17(20)21-10-15(18)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,16,19H,10H2,1-2H3/t16-/m0/s1
InChIKeyYAECODBDEDDZSA-INIZCTEOSA-N
XLogP2.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate
CID 888123
(2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 17464453
bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium
CID 174874865
3-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-1-one
CID 116608473
3-methyl-1-naphthalen-2-ylhexan-1-one
CID 55187540
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
3-(aminomethyl)-5-methyl-1-naphthalen-2-ylhexan-1-one
CID 116576897
(2-naphthalen-2-yl-2-oxoethyl) 3,4,5-trimethoxybenzoate
CID 40612973
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
CID 7698509
(2R)-2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 102464315

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate?
The IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate (CID 57379444) is (2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate.
What is the SMILES notation for (2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate?
The canonical SMILES for (2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate is CC(C)[C@H](O)C(=O)OCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate?
The InChIKey is YAECODBDEDDZSA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18O4/c1-11(2)16(19)17(20)21-10-15(18)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,16,19H,10H2,1-2H3/t16-/m0/s1.
What are the key properties of (2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate?
(2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate has a molecular weight of 286.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate is sourced from PubChem (CID 57379444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).